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/PROFESSOR-96bb216c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-96bb216c/inputs/seq.fa: 1
curr_seq: _AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/PROFESSOR-96bb216c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-96bb216c/inputs/seq.fa: 1
curr_seq: _AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/PROFESSOR-96bb216c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-96bb216c/inputs/seq.fa: 1
curr_seq: _AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/PROFESSOR-96bb216c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-96bb216c/inputs/seq.fa: 1
curr_seq: _AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/PROFESSOR-96bb216c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-96bb216c/inputs/seq.fa: 1
curr_seq: _AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/PROFESSOR-96bb216c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-96bb216c/inputs/seq.fa: 1
curr_seq: _AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/PROFESSOR-96bb216c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-96bb216c/inputs/seq.fa: 1
curr_seq: _AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/PROFESSOR-96bb216c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-96bb216c/inputs/seq.fa: 1
curr_seq: _AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/PROFESSOR-96bb216c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-96bb216c/inputs/seq.fa: 1
curr_seq: _AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/PROFESSOR-96bb216c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-96bb216c/inputs/seq.fa: 1
curr_seq: _AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUAGUAGGUUGCAUAGUUUgUcgcUU
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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: -115.108441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.108441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.108441 (E_RNA)
where:
Base-Base interactions energy: -3.695
where: short stacking energy: -3.695
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -115.108441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.108441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.108441 (E_RNA)
where:
Base-Base interactions energy: -3.695
where: short stacking energy: -3.695
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -115.108441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.108441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.108441 (E_RNA)
where:
Base-Base interactions energy: -3.695
where: short stacking energy: -3.695
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -115.108441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.108441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.108441 (E_RNA)
where:
Base-Base interactions energy: -3.695
where: short stacking energy: -3.695
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -115.108441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.108441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.108441 (E_RNA)
where:
Base-Base interactions energy: -3.695
where: short stacking energy: -3.695
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -115.108441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.108441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.108441 (E_RNA)
where:
Base-Base interactions energy: -3.695
where: short stacking energy: -3.695
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -115.108441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.108441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.108441 (E_RNA)
where:
Base-Base interactions energy: -3.695
where: short stacking energy: -3.695
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -115.108441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.108441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.108441 (E_RNA)
where:
Base-Base interactions energy: -3.695
where: short stacking energy: -3.695
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -115.108441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.108441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.108441 (E_RNA)
where:
Base-Base interactions energy: -3.695
where: short stacking energy: -3.695
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -115.108441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.108441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.108441 (E_RNA)
where:
Base-Base interactions energy: -3.695
where: short stacking energy: -3.695
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -201.216271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.216271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.216271 (E_RNA)
where:
Base-Base interactions energy: -98.985
where: short stacking energy: -98.107
Base-Backbone interact. energy: -0.211
local terms energy: -102.019709
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -27.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -169.519421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.519421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.519421 (E_RNA)
where:
Base-Base interactions energy: -84.907
where: short stacking energy: -64.841
Base-Backbone interact. energy: 0.223
local terms energy: -84.835417
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -12.123
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: 2
Temperature: 1.000000
Total energy: -159.001459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.001459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.001459 (E_RNA)
where:
Base-Base interactions energy: -85.035
where: short stacking energy: -57.031
Base-Backbone interact. energy: -0.193
local terms energy: -73.773388
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -23.600
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -10.740
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -142.574183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.574183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.574183 (E_RNA)
where:
Base-Base interactions energy: -62.521
where: short stacking energy: -59.040
Base-Backbone interact. energy: 2.267
local terms energy: -82.319607
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -10.382
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -167.665939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.665939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.665939 (E_RNA)
where:
Base-Base interactions energy: -80.559
where: short stacking energy: -54.608
Base-Backbone interact. energy: -0.269
local terms energy: -86.838256
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -124.874033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.874033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.874033 (E_RNA)
where:
Base-Base interactions energy: -47.666
where: short stacking energy: -46.577
Base-Backbone interact. energy: 0.255
local terms energy: -77.462981
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -155.797198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.797198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.797198 (E_RNA)
where:
Base-Base interactions energy: -89.681
where: short stacking energy: -51.990
Base-Backbone interact. energy: -0.220
local terms energy: -65.896277
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -7.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -115.536378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.536378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.536378 (E_RNA)
where:
Base-Base interactions energy: -44.539
where: short stacking energy: -44.042
Base-Backbone interact. energy: -0.432
local terms energy: -70.565857
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: 2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -114.494236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.494236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.494236 (E_RNA)
where:
Base-Base interactions energy: -3.695
where: short stacking energy: -3.695
Base-Backbone interact. energy: -0.000
local terms energy: -110.799586
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -114.494236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.494236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.494236 (E_RNA)
where:
Base-Base interactions energy: -3.695
where: short stacking energy: -3.695
Base-Backbone interact. energy: -0.000
local terms energy: -110.799586
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -217.748484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.748484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.748484 (E_RNA)
where:
Base-Base interactions energy: -119.473
where: short stacking energy: -83.066
Base-Backbone interact. energy: -0.023
local terms energy: -98.252643
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -17.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -197.887936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.887936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.887936 (E_RNA)
where:
Base-Base interactions energy: -110.175
where: short stacking energy: -81.151
Base-Backbone interact. energy: -0.382
local terms energy: -87.331320
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -13.070
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -210.060864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.060864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.060864 (E_RNA)
where:
Base-Base interactions energy: -119.962
where: short stacking energy: -78.610
Base-Backbone interact. energy: 0.297
local terms energy: -90.395454
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -203.438205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.438205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.438205 (E_RNA)
where:
Base-Base interactions energy: -109.723
where: short stacking energy: -73.540
Base-Backbone interact. energy: -0.032
local terms energy: -93.682956
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -133.612521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.612521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.612521 (E_RNA)
where:
Base-Base interactions energy: -56.465
where: short stacking energy: -49.177
Base-Backbone interact. energy: -0.406
local terms energy: -76.742013
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -168.944690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.944690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.944690 (E_RNA)
where:
Base-Base interactions energy: -88.440
where: short stacking energy: -48.724
Base-Backbone interact. energy: -0.199
local terms energy: -80.305514
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -7.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -120.049103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.049103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.049103 (E_RNA)
where:
Base-Base interactions energy: -47.803
where: short stacking energy: -44.586
Base-Backbone interact. energy: -0.512
local terms energy: -71.733999
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -12.014
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -114.469418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.469418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.469418 (E_RNA)
where:
Base-Base interactions energy: -42.035
where: short stacking energy: -42.035
Base-Backbone interact. energy: -0.484
local terms energy: -71.950684
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -5.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -115.570643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.570643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.570643 (E_RNA)
where:
Base-Base interactions energy: -45.750
where: short stacking energy: -39.959
Base-Backbone interact. energy: -0.161
local terms energy: -69.659390
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -110.684124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.684124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.684124 (E_RNA)
where:
Base-Base interactions energy: -53.375
where: short stacking energy: -44.327
Base-Backbone interact. energy: -0.355
local terms energy: -56.953889
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -9.373
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: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -215.487773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.487773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.487773 (E_RNA)
where:
Base-Base interactions energy: -133.225
where: short stacking energy: -67.618
Base-Backbone interact. energy: -0.532
local terms energy: -81.731194
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -9.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -237.061716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.061716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.061716 (E_RNA)
where:
Base-Base interactions energy: -138.730
where: short stacking energy: -77.593
Base-Backbone interact. energy: -0.022
local terms energy: -98.309727
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -244.334437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.334437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.334437 (E_RNA)
where:
Base-Base interactions energy: -162.597
where: short stacking energy: -77.627
Base-Backbone interact. energy: 0.029
local terms energy: -81.766159
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -15.385
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: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -220.060048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.060048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.060048 (E_RNA)
where:
Base-Base interactions energy: -131.722
where: short stacking energy: -82.220
Base-Backbone interact. energy: 1.279
local terms energy: -89.617163
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -171.594475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.594475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.594475 (E_RNA)
where:
Base-Base interactions energy: -95.600
where: short stacking energy: -48.745
Base-Backbone interact. energy: -1.078
local terms energy: -74.916157
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -186.447535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.447535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.447535 (E_RNA)
where:
Base-Base interactions energy: -103.421
where: short stacking energy: -58.119
Base-Backbone interact. energy: -0.740
local terms energy: -82.286917
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -21.624
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -122.952879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.952879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.952879 (E_RNA)
where:
Base-Base interactions energy: -48.146
where: short stacking energy: -43.218
Base-Backbone interact. energy: -0.121
local terms energy: -74.686511
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -16.526
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -126.680805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.680805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.680805 (E_RNA)
where:
Base-Base interactions energy: -59.892
where: short stacking energy: -44.920
Base-Backbone interact. energy: -0.607
local terms energy: -66.181834
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -108.517072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.517072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.517072 (E_RNA)
where:
Base-Base interactions energy: -47.530
where: short stacking energy: -45.119
Base-Backbone interact. energy: -0.416
local terms energy: -60.570859
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -120.900960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.900960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.900960 (E_RNA)
where:
Base-Base interactions energy: -53.199
where: short stacking energy: -39.725
Base-Backbone interact. energy: -0.399
local terms energy: -67.302948
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -12.278
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: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -213.264610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.264610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.264610 (E_RNA)
where:
Base-Base interactions energy: -123.241
where: short stacking energy: -69.471
Base-Backbone interact. energy: -2.540
local terms energy: -87.483157
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -268.766751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.766751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.766751 (E_RNA)
where:
Base-Base interactions energy: -161.900
where: short stacking energy: -85.708
Base-Backbone interact. energy: -0.833
local terms energy: -106.033609
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -25.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -238.976723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.976723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.976723 (E_RNA)
where:
Base-Base interactions energy: -146.063
where: short stacking energy: -78.614
Base-Backbone interact. energy: -0.847
local terms energy: -92.066022
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -22.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -206.657460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.657460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.657460 (E_RNA)
where:
Base-Base interactions energy: -117.683
where: short stacking energy: -69.881
Base-Backbone interact. energy: -0.159
local terms energy: -88.815126
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -9.463
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: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -197.625329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.625329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.625329 (E_RNA)
where:
Base-Base interactions energy: -112.974
where: short stacking energy: -57.717
Base-Backbone interact. energy: 0.627
local terms energy: -85.278931
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -10.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -208.603226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.603226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.603226 (E_RNA)
where:
Base-Base interactions energy: -116.052
where: short stacking energy: -60.612
Base-Backbone interact. energy: -0.610
local terms energy: -91.941193
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -112.953554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.953554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.953554 (E_RNA)
where:
Base-Base interactions energy: -35.072
where: short stacking energy: -35.072
Base-Backbone interact. energy: -0.019
local terms energy: -77.862925
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -118.134947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.134947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.134947 (E_RNA)
where:
Base-Base interactions energy: -41.948
where: short stacking energy: -40.440
Base-Backbone interact. energy: -1.385
local terms energy: -74.801895
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -9.182
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: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -93.261299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.261299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.261299 (E_RNA)
where:
Base-Base interactions energy: -37.596
where: short stacking energy: -37.331
Base-Backbone interact. energy: -1.029
local terms energy: -54.637081
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -12.406
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -106.489252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.489252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.489252 (E_RNA)
where:
Base-Base interactions energy: -34.162
where: short stacking energy: -31.438
Base-Backbone interact. energy: -0.060
local terms energy: -72.267413
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -287.987067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.987067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.987067 (E_RNA)
where:
Base-Base interactions energy: -182.447
where: short stacking energy: -100.615
Base-Backbone interact. energy: -0.409
local terms energy: -105.130782
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -31.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -208.146206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.146206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.146206 (E_RNA)
where:
Base-Base interactions energy: -123.271
where: short stacking energy: -67.991
Base-Backbone interact. energy: -0.930
local terms energy: -83.944971
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -24.238
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -257.264267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.264267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.264267 (E_RNA)
where:
Base-Base interactions energy: -162.155
where: short stacking energy: -82.734
Base-Backbone interact. energy: -1.698
local terms energy: -93.411524
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -214.575046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.575046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.575046 (E_RNA)
where:
Base-Base interactions energy: -124.213
where: short stacking energy: -77.442
Base-Backbone interact. energy: -0.162
local terms energy: -90.199965
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -240.380097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.380097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.380097 (E_RNA)
where:
Base-Base interactions energy: -155.257
where: short stacking energy: -84.372
Base-Backbone interact. energy: -0.608
local terms energy: -84.514692
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -19.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -176.623956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.623956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.623956 (E_RNA)
where:
Base-Base interactions energy: -96.907
where: short stacking energy: -41.236
Base-Backbone interact. energy: -0.145
local terms energy: -79.572747
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -123.035799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.035799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.035799 (E_RNA)
where:
Base-Base interactions energy: -44.779
where: short stacking energy: -45.279
Base-Backbone interact. energy: -0.155
local terms energy: -78.101684
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -10.113
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: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -108.011014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.011014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.011014 (E_RNA)
where:
Base-Base interactions energy: -48.021
where: short stacking energy: -47.384
Base-Backbone interact. energy: -1.135
local terms energy: -58.854897
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -115.332336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.332336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.332336 (E_RNA)
where:
Base-Base interactions energy: -44.380
where: short stacking energy: -42.440
Base-Backbone interact. energy: -1.103
local terms energy: -69.850059
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -122.668300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.668300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.668300 (E_RNA)
where:
Base-Base interactions energy: -52.121
where: short stacking energy: -15.545
Base-Backbone interact. energy: -0.171
local terms energy: -70.376306
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: 2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -297.314947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.314947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.314947 (E_RNA)
where:
Base-Base interactions energy: -184.887
where: short stacking energy: -91.707
Base-Backbone interact. energy: -0.490
local terms energy: -111.937936
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -20.963
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -29.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -325.750780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.750780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.750780 (E_RNA)
where:
Base-Base interactions energy: -216.900
where: short stacking energy: -106.143
Base-Backbone interact. energy: -0.332
local terms energy: -108.518898
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -28.557
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: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -221.473814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.473814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.473814 (E_RNA)
where:
Base-Base interactions energy: -146.674
where: short stacking energy: -69.617
Base-Backbone interact. energy: -0.214
local terms energy: -74.585831
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -282.377502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.377502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.377502 (E_RNA)
where:
Base-Base interactions energy: -181.099
where: short stacking energy: -79.801
Base-Backbone interact. energy: -0.429
local terms energy: -100.849159
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -24.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -215.372094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.372094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.372094 (E_RNA)
where:
Base-Base interactions energy: -136.281
where: short stacking energy: -64.195
Base-Backbone interact. energy: -0.113
local terms energy: -78.978597
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -8.872
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: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -143.034254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.034254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.034254 (E_RNA)
where:
Base-Base interactions energy: -62.038
where: short stacking energy: -53.213
Base-Backbone interact. energy: -0.069
local terms energy: -80.927819
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -185.946811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.946811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.946811 (E_RNA)
where:
Base-Base interactions energy: -112.156
where: short stacking energy: -61.337
Base-Backbone interact. energy: -1.789
local terms energy: -72.001200
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -7.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -111.342137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.342137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.342137 (E_RNA)
where:
Base-Base interactions energy: -32.885
where: short stacking energy: -32.885
Base-Backbone interact. energy: -0.171
local terms energy: -78.286557
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -106.212604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.212604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.212604 (E_RNA)
where:
Base-Base interactions energy: -46.123
where: short stacking energy: -37.790
Base-Backbone interact. energy: 3.213
local terms energy: -63.303095
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -11.387
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: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -105.728684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.728684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.728684 (E_RNA)
where:
Base-Base interactions energy: -34.386
where: short stacking energy: -27.223
Base-Backbone interact. energy: -0.449
local terms energy: -70.893263
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -328.265445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.265445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.265445 (E_RNA)
where:
Base-Base interactions energy: -217.948
where: short stacking energy: -96.785
Base-Backbone interact. energy: -0.049
local terms energy: -110.268160
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -22.311
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -29.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -298.553405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.553405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.553405 (E_RNA)
where:
Base-Base interactions energy: -186.568
where: short stacking energy: -101.546
Base-Backbone interact. energy: -0.004
local terms energy: -111.981862
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -29.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -283.609019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.609019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.609019 (E_RNA)
where:
Base-Base interactions energy: -184.762
where: short stacking energy: -75.181
Base-Backbone interact. energy: -0.009
local terms energy: -98.837520
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -23.936
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: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -180.266563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.266563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.266563 (E_RNA)
where:
Base-Base interactions energy: -90.402
where: short stacking energy: -60.041
Base-Backbone interact. energy: -0.203
local terms energy: -89.661644
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -21.129
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -256.368186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.368186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.368186 (E_RNA)
where:
Base-Base interactions energy: -161.449
where: short stacking energy: -75.254
Base-Backbone interact. energy: -0.053
local terms energy: -94.866365
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -143.079512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.079512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.079512 (E_RNA)
where:
Base-Base interactions energy: -62.181
where: short stacking energy: -62.181
Base-Backbone interact. energy: -0.974
local terms energy: -79.924615
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -12.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -191.220501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.220501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.220501 (E_RNA)
where:
Base-Base interactions energy: -107.826
where: short stacking energy: -66.414
Base-Backbone interact. energy: -1.174
local terms energy: -82.219733
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -112.554753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.554753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.554753 (E_RNA)
where:
Base-Base interactions energy: -36.590
where: short stacking energy: -35.566
Base-Backbone interact. energy: -0.218
local terms energy: -75.747339
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -106.984359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.984359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.984359 (E_RNA)
where:
Base-Base interactions energy: -47.580
where: short stacking energy: -18.668
Base-Backbone interact. energy: -0.847
local terms energy: -58.556596
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: 2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -96.964703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.964703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.964703 (E_RNA)
where:
Base-Base interactions energy: -36.159
where: short stacking energy: -36.163
Base-Backbone interact. energy: 0.326
local terms energy: -61.131695
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -324.487447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.487447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.487447 (E_RNA)
where:
Base-Base interactions energy: -210.444
where: short stacking energy: -88.071
Base-Backbone interact. energy: -1.967
local terms energy: -112.076298
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -26.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -317.675441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.675441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.675441 (E_RNA)
where:
Base-Base interactions energy: -205.674
where: short stacking energy: -101.693
Base-Backbone interact. energy: -0.276
local terms energy: -111.725061
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -22.426
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -29.055
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: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -287.755237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.755237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.755237 (E_RNA)
where:
Base-Base interactions energy: -184.802
where: short stacking energy: -92.745
Base-Backbone interact. energy: -0.416
local terms energy: -102.536825
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -25.760
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: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -266.227697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.227697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.227697 (E_RNA)
where:
Base-Base interactions energy: -167.339
where: short stacking energy: -90.641
Base-Backbone interact. energy: -1.180
local terms energy: -97.709055
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -213.066957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.066957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.066957 (E_RNA)
where:
Base-Base interactions energy: -122.009
where: short stacking energy: -73.071
Base-Backbone interact. energy: -0.898
local terms energy: -90.160157
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -24.028
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: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -212.464519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.464519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.464519 (E_RNA)
where:
Base-Base interactions energy: -131.756
where: short stacking energy: -58.625
Base-Backbone interact. energy: -0.260
local terms energy: -80.448601
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -121.207737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.207737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.207737 (E_RNA)
where:
Base-Base interactions energy: -46.501
where: short stacking energy: -46.308
Base-Backbone interact. energy: -0.714
local terms energy: -73.993040
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -111.373296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.373296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.373296 (E_RNA)
where:
Base-Base interactions energy: -38.692
where: short stacking energy: -38.191
Base-Backbone interact. energy: -0.057
local terms energy: -72.623633
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -105.718822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.718822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.718822 (E_RNA)
where:
Base-Base interactions energy: -33.238
where: short stacking energy: -33.238
Base-Backbone interact. energy: -0.098
local terms energy: -72.382496
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -22.994
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -113.642647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.642647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.642647 (E_RNA)
where:
Base-Base interactions energy: -40.778
where: short stacking energy: -40.778
Base-Backbone interact. energy: 0.132
local terms energy: -72.997261
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -331.379001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.379001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.379001 (E_RNA)
where:
Base-Base interactions energy: -226.940
where: short stacking energy: -95.691
Base-Backbone interact. energy: -0.902
local terms energy: -103.537347
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -29.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -323.291591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.291591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.291591 (E_RNA)
where:
Base-Base interactions energy: -219.069
where: short stacking energy: -94.853
Base-Backbone interact. energy: -1.538
local terms energy: -102.685005
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -28.652
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: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -297.862065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.862065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.862065 (E_RNA)
where:
Base-Base interactions energy: -196.009
where: short stacking energy: -97.308
Base-Backbone interact. energy: -0.003
local terms energy: -101.849609
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -29.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -271.237723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.237723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.237723 (E_RNA)
where:
Base-Base interactions energy: -175.140
where: short stacking energy: -80.827
Base-Backbone interact. energy: -0.344
local terms energy: -95.753326
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -210.620632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.620632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.620632 (E_RNA)
where:
Base-Base interactions energy: -120.018
where: short stacking energy: -66.665
Base-Backbone interact. energy: -1.901
local terms energy: -88.701455
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -227.226918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.226918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.226918 (E_RNA)
where:
Base-Base interactions energy: -145.125
where: short stacking energy: -67.019
Base-Backbone interact. energy: -0.724
local terms energy: -81.377481
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -12.359
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: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -161.607060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.607060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.607060 (E_RNA)
where:
Base-Base interactions energy: -89.923
where: short stacking energy: -56.772
Base-Backbone interact. energy: 0.671
local terms energy: -72.355376
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -20.916
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -125.415942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.415942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.415942 (E_RNA)
where:
Base-Base interactions energy: -53.514
where: short stacking energy: -53.514
Base-Backbone interact. energy: -0.129
local terms energy: -71.772455
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -106.427634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.427634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.427634 (E_RNA)
where:
Base-Base interactions energy: -39.648
where: short stacking energy: -29.393
Base-Backbone interact. energy: 0.876
local terms energy: -67.655902
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -6.120
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: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -100.209774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.209774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.209774 (E_RNA)
where:
Base-Base interactions energy: -36.199
where: short stacking energy: -33.676
Base-Backbone interact. energy: -0.257
local terms energy: -63.754174
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -342.706118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.706118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.706118 (E_RNA)
where:
Base-Base interactions energy: -233.310
where: short stacking energy: -101.839
Base-Backbone interact. energy: -1.346
local terms energy: -108.050139
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -28.982
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: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -329.327351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.327351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.327351 (E_RNA)
where:
Base-Base interactions energy: -224.873
where: short stacking energy: -100.963
Base-Backbone interact. energy: -0.016
local terms energy: -104.438576
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -28.831
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: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -291.541619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.541619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.541619 (E_RNA)
where:
Base-Base interactions energy: -190.094
where: short stacking energy: -92.957
Base-Backbone interact. energy: -0.630
local terms energy: -100.817897
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -25.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -278.647934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.647934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.647934 (E_RNA)
where:
Base-Base interactions energy: -178.471
where: short stacking energy: -94.424
Base-Backbone interact. energy: -0.981
local terms energy: -99.195609
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -27.264
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: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -232.715023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.715023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.715023 (E_RNA)
where:
Base-Base interactions energy: -138.335
where: short stacking energy: -78.714
Base-Backbone interact. energy: -0.038
local terms energy: -94.341676
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -237.901692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.901692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.901692 (E_RNA)
where:
Base-Base interactions energy: -161.473
where: short stacking energy: -76.226
Base-Backbone interact. energy: -0.102
local terms energy: -76.326698
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -4.701
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -23.786
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: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -169.645473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.645473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.645473 (E_RNA)
where:
Base-Base interactions energy: -99.187
where: short stacking energy: -49.519
Base-Backbone interact. energy: -0.524
local terms energy: -69.933966
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -131.986632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.986632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.986632 (E_RNA)
where:
Base-Base interactions energy: -57.742
where: short stacking energy: -52.319
Base-Backbone interact. energy: -0.162
local terms energy: -74.082397
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -9.932
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: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -137.628555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.628555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.628555 (E_RNA)
where:
Base-Base interactions energy: -65.695
where: short stacking energy: -39.927
Base-Backbone interact. energy: -0.152
local terms energy: -71.781344
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -92.420440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.420440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.420440 (E_RNA)
where:
Base-Base interactions energy: -43.471
where: short stacking energy: -30.523
Base-Backbone interact. energy: -0.471
local terms energy: -48.478737
where:
bonds (distance) C4'-P energy: -6.247
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -7.642
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: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -337.130530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.130530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.130530 (E_RNA)
where:
Base-Base interactions energy: -229.372
where: short stacking energy: -100.488
Base-Backbone interact. energy: -0.623
local terms energy: -107.135575
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -29.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -341.443505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.443505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.443505 (E_RNA)
where:
Base-Base interactions energy: -226.625
where: short stacking energy: -105.579
Base-Backbone interact. energy: -0.881
local terms energy: -113.937268
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -33.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -285.033640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.033640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.033640 (E_RNA)
where:
Base-Base interactions energy: -194.755
where: short stacking energy: -95.710
Base-Backbone interact. energy: -0.084
local terms energy: -90.194453
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -28.249
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: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -271.954702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.954702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.954702 (E_RNA)
where:
Base-Base interactions energy: -177.491
where: short stacking energy: -90.269
Base-Backbone interact. energy: -0.148
local terms energy: -94.315912
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -24.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -274.170873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.170873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.170873 (E_RNA)
where:
Base-Base interactions energy: -179.593
where: short stacking energy: -87.777
Base-Backbone interact. energy: -0.447
local terms energy: -94.131133
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -22.754
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: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -198.355153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.355153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.355153 (E_RNA)
where:
Base-Base interactions energy: -121.331
where: short stacking energy: -58.982
Base-Backbone interact. energy: -0.409
local terms energy: -76.615099
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -2.501
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: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -136.124090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.124090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.124090 (E_RNA)
where:
Base-Base interactions energy: -52.718
where: short stacking energy: -52.718
Base-Backbone interact. energy: -0.175
local terms energy: -83.231067
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -13.804
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: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -158.623177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.623177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.623177 (E_RNA)
where:
Base-Base interactions energy: -90.806
where: short stacking energy: -50.720
Base-Backbone interact. energy: -0.325
local terms energy: -67.492633
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -7.224
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: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -149.425593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.425593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.425593 (E_RNA)
where:
Base-Base interactions energy: -84.669
where: short stacking energy: -41.676
Base-Backbone interact. energy: 2.139
local terms energy: -66.895496
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -102.356588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.356588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.356588 (E_RNA)
where:
Base-Base interactions energy: -31.785
where: short stacking energy: -28.126
Base-Backbone interact. energy: 0.765
local terms energy: -71.336805
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -5.580
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: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -338.057035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.057035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.057035 (E_RNA)
where:
Base-Base interactions energy: -226.366
where: short stacking energy: -107.625
Base-Backbone interact. energy: -0.006
local terms energy: -111.684922
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -29.450
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: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -342.867314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.867314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.867314 (E_RNA)
where:
Base-Base interactions energy: -237.746
where: short stacking energy: -109.710
Base-Backbone interact. energy: -0.470
local terms energy: -104.651214
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -24.527
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -32.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -275.925650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.925650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.925650 (E_RNA)
where:
Base-Base interactions energy: -176.547
where: short stacking energy: -83.858
Base-Backbone interact. energy: -0.106
local terms energy: -99.272912
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -24.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -271.837456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.837456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.837456 (E_RNA)
where:
Base-Base interactions energy: -172.882
where: short stacking energy: -84.090
Base-Backbone interact. energy: -0.394
local terms energy: -98.561369
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -25.122
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: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -260.273987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.273987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.273987 (E_RNA)
where:
Base-Base interactions energy: -160.348
where: short stacking energy: -81.254
Base-Backbone interact. energy: -0.851
local terms energy: -99.074945
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -23.342
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -23.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -199.760773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.760773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.760773 (E_RNA)
where:
Base-Base interactions energy: -112.850
where: short stacking energy: -64.035
Base-Backbone interact. energy: -0.400
local terms energy: -86.510073
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -24.400
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -120.599471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.599471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.599471 (E_RNA)
where:
Base-Base interactions energy: -48.769
where: short stacking energy: -39.595
Base-Backbone interact. energy: -0.648
local terms energy: -71.182075
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -124.445937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.445937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.445937 (E_RNA)
where:
Base-Base interactions energy: -72.753
where: short stacking energy: -33.900
Base-Backbone interact. energy: -0.824
local terms energy: -50.868843
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -0.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -186.094906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.094906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.094906 (E_RNA)
where:
Base-Base interactions energy: -114.973
where: short stacking energy: -50.665
Base-Backbone interact. energy: -0.649
local terms energy: -70.472895
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -107.798064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.798064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.798064 (E_RNA)
where:
Base-Base interactions energy: -40.205
where: short stacking energy: -40.205
Base-Backbone interact. energy: -0.255
local terms energy: -67.338636
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -345.341925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.341925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.341925 (E_RNA)
where:
Base-Base interactions energy: -228.823
where: short stacking energy: -97.970
Base-Backbone interact. energy: -1.496
local terms energy: -115.023105
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -32.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -328.911089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.911089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.911089 (E_RNA)
where:
Base-Base interactions energy: -223.334
where: short stacking energy: -98.056
Base-Backbone interact. energy: -0.374
local terms energy: -105.203332
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -28.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -270.765200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.765200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.765200 (E_RNA)
where:
Base-Base interactions energy: -170.274
where: short stacking energy: -83.808
Base-Backbone interact. energy: -0.325
local terms energy: -100.166867
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -26.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -276.164157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.164157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.164157 (E_RNA)
where:
Base-Base interactions energy: -182.668
where: short stacking energy: -84.447
Base-Backbone interact. energy: 0.035
local terms energy: -93.530716
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -22.121
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: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -312.425712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.425712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.425712 (E_RNA)
where:
Base-Base interactions energy: -209.332
where: short stacking energy: -96.261
Base-Backbone interact. energy: -1.083
local terms energy: -102.010570
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -21.268
flat angles P-C4'-P energy: -18.667
tors. eta vs tors. theta energy: -30.496
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: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -196.994560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.994560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.994560 (E_RNA)
where:
Base-Base interactions energy: -100.053
where: short stacking energy: -59.534
Base-Backbone interact. energy: -0.005
local terms energy: -96.936575
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -138.538399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.538399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.538399 (E_RNA)
where:
Base-Base interactions energy: -63.699
where: short stacking energy: -50.636
Base-Backbone interact. energy: -0.179
local terms energy: -74.660574
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -10.297
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: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -116.230591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.230591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.230591 (E_RNA)
where:
Base-Base interactions energy: -52.101
where: short stacking energy: -40.524
Base-Backbone interact. energy: -0.166
local terms energy: -63.963921
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -20.683
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -156.850634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.850634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.850634 (E_RNA)
where:
Base-Base interactions energy: -80.366
where: short stacking energy: -56.139
Base-Backbone interact. energy: -0.329
local terms energy: -76.156199
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -6.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -102.080371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.080371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.080371 (E_RNA)
where:
Base-Base interactions energy: -35.467
where: short stacking energy: -33.827
Base-Backbone interact. energy: -0.161
local terms energy: -66.452320
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -346.551649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.551649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.551649 (E_RNA)
where:
Base-Base interactions energy: -228.075
where: short stacking energy: -98.464
Base-Backbone interact. energy: -0.614
local terms energy: -117.862721
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -26.195
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -30.260
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: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -325.540634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.540634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.540634 (E_RNA)
where:
Base-Base interactions energy: -220.871
where: short stacking energy: -98.305
Base-Backbone interact. energy: -0.249
local terms energy: -104.420796
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -28.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -279.502432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.502432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.502432 (E_RNA)
where:
Base-Base interactions energy: -174.523
where: short stacking energy: -100.201
Base-Backbone interact. energy: -0.629
local terms energy: -104.351028
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -23.548
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: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -326.595707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.595707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.595707 (E_RNA)
where:
Base-Base interactions energy: -221.994
where: short stacking energy: -100.833
Base-Backbone interact. energy: -0.436
local terms energy: -104.165447
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -29.841
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: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -261.533092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.533092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.533092 (E_RNA)
where:
Base-Base interactions energy: -169.406
where: short stacking energy: -78.844
Base-Backbone interact. energy: -1.181
local terms energy: -90.945463
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -25.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -199.614828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.614828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.614828 (E_RNA)
where:
Base-Base interactions energy: -119.810
where: short stacking energy: -52.802
Base-Backbone interact. energy: 0.494
local terms energy: -80.299024
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -171.908410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.908410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.908410 (E_RNA)
where:
Base-Base interactions energy: -80.085
where: short stacking energy: -50.247
Base-Backbone interact. energy: -0.190
local terms energy: -91.633620
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -116.196900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.196900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.196900 (E_RNA)
where:
Base-Base interactions energy: -58.357
where: short stacking energy: -53.417
Base-Backbone interact. energy: 1.896
local terms energy: -59.736208
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -4.508
tors. eta vs tors. theta energy: -7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -99.379318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.379318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.379318 (E_RNA)
where:
Base-Base interactions energy: -35.547
where: short stacking energy: -32.569
Base-Backbone interact. energy: -0.593
local terms energy: -63.239431
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -110.951253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.951253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.951253 (E_RNA)
where:
Base-Base interactions energy: -46.444
where: short stacking energy: -45.582
Base-Backbone interact. energy: -0.153
local terms energy: -64.354523
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -13.103
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: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -348.148732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.148732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.148732 (E_RNA)
where:
Base-Base interactions energy: -237.248
where: short stacking energy: -105.502
Base-Backbone interact. energy: -0.469
local terms energy: -110.432316
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -32.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -334.991456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.991456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.991456 (E_RNA)
where:
Base-Base interactions energy: -222.755
where: short stacking energy: -95.459
Base-Backbone interact. energy: -0.613
local terms energy: -111.623442
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -29.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -318.000287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.000287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.000287 (E_RNA)
where:
Base-Base interactions energy: -212.527
where: short stacking energy: -95.670
Base-Backbone interact. energy: -0.193
local terms energy: -105.279913
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -26.594
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -26.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -276.212663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.212663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.212663 (E_RNA)
where:
Base-Base interactions energy: -179.664
where: short stacking energy: -90.622
Base-Backbone interact. energy: -0.016
local terms energy: -96.532796
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -264.936651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.936651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.936651 (E_RNA)
where:
Base-Base interactions energy: -170.234
where: short stacking energy: -75.374
Base-Backbone interact. energy: -0.115
local terms energy: -94.587436
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -24.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -202.023620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.023620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.023620 (E_RNA)
where:
Base-Base interactions energy: -112.018
where: short stacking energy: -61.811
Base-Backbone interact. energy: 0.872
local terms energy: -90.878442
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -195.526533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.526533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.526533 (E_RNA)
where:
Base-Base interactions energy: -110.423
where: short stacking energy: -53.541
Base-Backbone interact. energy: -0.282
local terms energy: -84.821478
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -124.817408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.817408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.817408 (E_RNA)
where:
Base-Base interactions energy: -44.300
where: short stacking energy: -41.943
Base-Backbone interact. energy: -0.108
local terms energy: -80.409819
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -106.074061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.074061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.074061 (E_RNA)
where:
Base-Base interactions energy: -37.379
where: short stacking energy: -37.379
Base-Backbone interact. energy: -0.385
local terms energy: -68.310606
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: 2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -104.660795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.660795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.660795 (E_RNA)
where:
Base-Base interactions energy: -40.493
where: short stacking energy: -38.871
Base-Backbone interact. energy: -0.149
local terms energy: -64.018681
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -3.427
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: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -339.349483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.349483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.349483 (E_RNA)
where:
Base-Base interactions energy: -224.891
where: short stacking energy: -99.677
Base-Backbone interact. energy: -1.773
local terms energy: -112.685581
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -32.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -331.377937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.377937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.377937 (E_RNA)
where:
Base-Base interactions energy: -228.496
where: short stacking energy: -99.007
Base-Backbone interact. energy: -0.619
local terms energy: -102.263734
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -32.330
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: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -325.219608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.219608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.219608 (E_RNA)
where:
Base-Base interactions energy: -212.904
where: short stacking energy: -96.776
Base-Backbone interact. energy: -0.430
local terms energy: -111.885759
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -30.684
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: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -269.272873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.272873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.272873 (E_RNA)
where:
Base-Base interactions energy: -171.503
where: short stacking energy: -81.338
Base-Backbone interact. energy: -0.200
local terms energy: -97.569619
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -21.489
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: 17
Temperature: 1.100000
Total energy: -268.707288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.707288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.707288 (E_RNA)
where:
Base-Base interactions energy: -174.588
where: short stacking energy: -79.778
Base-Backbone interact. energy: -0.629
local terms energy: -93.489977
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -180.831451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.831451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.831451 (E_RNA)
where:
Base-Base interactions energy: -104.198
where: short stacking energy: -49.117
Base-Backbone interact. energy: 1.969
local terms energy: -78.601923
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -196.730290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.730290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.730290 (E_RNA)
where:
Base-Base interactions energy: -115.878
where: short stacking energy: -67.066
Base-Backbone interact. energy: -0.586
local terms energy: -80.266323
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -8.540
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: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -119.448127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.448127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.448127 (E_RNA)
where:
Base-Base interactions energy: -44.304
where: short stacking energy: -41.394
Base-Backbone interact. energy: 0.486
local terms energy: -75.630227
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -10.011
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: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -109.804646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.804646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.804646 (E_RNA)
where:
Base-Base interactions energy: -40.480
where: short stacking energy: -39.044
Base-Backbone interact. energy: -0.213
local terms energy: -69.111437
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -100.905286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.905286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.905286 (E_RNA)
where:
Base-Base interactions energy: -43.414
where: short stacking energy: -38.956
Base-Backbone interact. energy: -0.611
local terms energy: -56.879926
where:
bonds (distance) C4'-P energy: -6.739
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -9.094
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: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -341.502081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.502081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.502081 (E_RNA)
where:
Base-Base interactions energy: -230.176
where: short stacking energy: -101.783
Base-Backbone interact. energy: -1.493
local terms energy: -109.833570
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -31.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -326.787440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.787440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.787440 (E_RNA)
where:
Base-Base interactions energy: -217.709
where: short stacking energy: -91.101
Base-Backbone interact. energy: 0.142
local terms energy: -109.220400
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -27.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -320.086184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.086184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.086184 (E_RNA)
where:
Base-Base interactions energy: -210.766
where: short stacking energy: -96.598
Base-Backbone interact. energy: -0.178
local terms energy: -109.142636
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -24.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -277.470651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.470651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.470651 (E_RNA)
where:
Base-Base interactions energy: -189.892
where: short stacking energy: -90.561
Base-Backbone interact. energy: -0.688
local terms energy: -86.891618
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -22.146
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: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -241.603658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.603658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.603658 (E_RNA)
where:
Base-Base interactions energy: -170.047
where: short stacking energy: -73.398
Base-Backbone interact. energy: -0.153
local terms energy: -71.403672
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -20.367
flat angles C4'-P-C4' energy: -4.081
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -191.484395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.484395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.484395 (E_RNA)
where:
Base-Base interactions energy: -108.325
where: short stacking energy: -70.388
Base-Backbone interact. energy: -0.120
local terms energy: -83.039402
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -174.600076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.600076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.600076 (E_RNA)
where:
Base-Base interactions energy: -103.168
where: short stacking energy: -59.278
Base-Backbone interact. energy: -0.371
local terms energy: -71.061150
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -7.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -104.529237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.529237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.529237 (E_RNA)
where:
Base-Base interactions energy: -39.028
where: short stacking energy: -39.028
Base-Backbone interact. energy: -0.268
local terms energy: -65.233184
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -108.376935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.376935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.376935 (E_RNA)
where:
Base-Base interactions energy: -44.799
where: short stacking energy: -22.798
Base-Backbone interact. energy: -0.220
local terms energy: -63.358261
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: 2.871
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: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -107.096563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.096563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.096563 (E_RNA)
where:
Base-Base interactions energy: -36.439
where: short stacking energy: -29.337
Base-Backbone interact. energy: -0.796
local terms energy: -69.861531
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: 0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -341.232883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.232883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.232883 (E_RNA)
where:
Base-Base interactions energy: -238.790
where: short stacking energy: -103.359
Base-Backbone interact. energy: 0.072
local terms energy: -102.514760
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -29.134
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: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -337.405883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.405883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.405883 (E_RNA)
where:
Base-Base interactions energy: -219.473
where: short stacking energy: -100.615
Base-Backbone interact. energy: -0.844
local terms energy: -117.088401
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -33.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -336.466441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.466441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.466441 (E_RNA)
where:
Base-Base interactions energy: -225.546
where: short stacking energy: -106.189
Base-Backbone interact. energy: -0.043
local terms energy: -110.878319
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -24.702
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -32.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -284.523585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.523585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.523585 (E_RNA)
where:
Base-Base interactions energy: -186.016
where: short stacking energy: -80.307
Base-Backbone interact. energy: -0.656
local terms energy: -97.852213
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: -19.312
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: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -242.657332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.657332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.657332 (E_RNA)
where:
Base-Base interactions energy: -153.160
where: short stacking energy: -57.062
Base-Backbone interact. energy: -0.854
local terms energy: -88.643159
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -202.104005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.104005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.104005 (E_RNA)
where:
Base-Base interactions energy: -123.553
where: short stacking energy: -65.669
Base-Backbone interact. energy: -0.251
local terms energy: -78.300013
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -206.175366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.175366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.175366 (E_RNA)
where:
Base-Base interactions energy: -114.532
where: short stacking energy: -66.425
Base-Backbone interact. energy: -0.218
local terms energy: -91.425593
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -178.482911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.482911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.482911 (E_RNA)
where:
Base-Base interactions energy: -107.772
where: short stacking energy: -58.563
Base-Backbone interact. energy: -1.441
local terms energy: -69.269594
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -120.444095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.444095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.444095 (E_RNA)
where:
Base-Base interactions energy: -49.484
where: short stacking energy: -48.005
Base-Backbone interact. energy: -0.092
local terms energy: -70.868413
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.339
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: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -108.812479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.812479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.812479 (E_RNA)
where:
Base-Base interactions energy: -41.785
where: short stacking energy: -27.159
Base-Backbone interact. energy: 1.491
local terms energy: -68.518182
where:
bonds (distance) C4'-P energy: -22.511
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: 3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -343.458131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.458131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.458131 (E_RNA)
where:
Base-Base interactions energy: -235.457
where: short stacking energy: -101.153
Base-Backbone interact. energy: -0.782
local terms energy: -107.218854
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -29.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -333.951336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.951336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.951336 (E_RNA)
where:
Base-Base interactions energy: -225.764
where: short stacking energy: -102.816
Base-Backbone interact. energy: -0.093
local terms energy: -108.094521
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -33.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -336.295309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.295309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.295309 (E_RNA)
where:
Base-Base interactions energy: -224.703
where: short stacking energy: -103.173
Base-Backbone interact. energy: -0.296
local terms energy: -111.296439
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -33.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -278.220018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.220018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.220018 (E_RNA)
where:
Base-Base interactions energy: -169.036
where: short stacking energy: -74.624
Base-Backbone interact. energy: -0.313
local terms energy: -108.871102
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -24.698
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -253.542076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.542076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.542076 (E_RNA)
where:
Base-Base interactions energy: -164.993
where: short stacking energy: -77.300
Base-Backbone interact. energy: -0.647
local terms energy: -87.902487
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -188.788081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.788081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.788081 (E_RNA)
where:
Base-Base interactions energy: -119.666
where: short stacking energy: -55.693
Base-Backbone interact. energy: -1.642
local terms energy: -67.479576
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -188.015570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.015570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.015570 (E_RNA)
where:
Base-Base interactions energy: -104.283
where: short stacking energy: -54.206
Base-Backbone interact. energy: -0.726
local terms energy: -83.006753
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -19.113
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: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -182.944726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.944726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.944726 (E_RNA)
where:
Base-Base interactions energy: -101.929
where: short stacking energy: -57.841
Base-Backbone interact. energy: -0.058
local terms energy: -80.957431
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -13.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -104.437677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.437677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.437677 (E_RNA)
where:
Base-Base interactions energy: -33.561
where: short stacking energy: -29.678
Base-Backbone interact. energy: 0.073
local terms energy: -70.949992
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -98.820247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.820247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.820247 (E_RNA)
where:
Base-Base interactions energy: -33.301
where: short stacking energy: -33.301
Base-Backbone interact. energy: -0.182
local terms energy: -65.337329
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -15.883
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: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -330.582300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.582300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.582300 (E_RNA)
where:
Base-Base interactions energy: -224.958
where: short stacking energy: -102.660
Base-Backbone interact. energy: -0.011
local terms energy: -105.612889
where:
bonds (distance) C4'-P energy: -20.226
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -27.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -343.673066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.673066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.673066 (E_RNA)
where:
Base-Base interactions energy: -232.223
where: short stacking energy: -102.158
Base-Backbone interact. energy: -0.575
local terms energy: -110.875682
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -35.423
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: 21
Temperature: 1.000000
Total energy: -327.208824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.208824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.208824 (E_RNA)
where:
Base-Base interactions energy: -218.517
where: short stacking energy: -103.638
Base-Backbone interact. energy: 1.408
local terms energy: -110.099739
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -25.314
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -31.482
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: 21
Temperature: 1.050000
Total energy: -264.674382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.674382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.674382 (E_RNA)
where:
Base-Base interactions energy: -181.395
where: short stacking energy: -74.802
Base-Backbone interact. energy: -1.149
local terms energy: -82.130577
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -269.545445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.545445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.545445 (E_RNA)
where:
Base-Base interactions energy: -169.586
where: short stacking energy: -82.800
Base-Backbone interact. energy: -0.354
local terms energy: -99.605352
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -22.839
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: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -177.871259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.871259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.871259 (E_RNA)
where:
Base-Base interactions energy: -95.013
where: short stacking energy: -66.365
Base-Backbone interact. energy: -0.100
local terms energy: -82.758350
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -191.250296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.250296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.250296 (E_RNA)
where:
Base-Base interactions energy: -107.173
where: short stacking energy: -55.254
Base-Backbone interact. energy: -0.084
local terms energy: -83.992853
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -12.518
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: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -174.819125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.819125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.819125 (E_RNA)
where:
Base-Base interactions energy: -95.939
where: short stacking energy: -47.674
Base-Backbone interact. energy: -0.389
local terms energy: -78.490895
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -12.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -120.437002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.437002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.437002 (E_RNA)
where:
Base-Base interactions energy: -42.608
where: short stacking energy: -38.206
Base-Backbone interact. energy: 0.655
local terms energy: -78.484593
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -102.826266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.826266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.826266 (E_RNA)
where:
Base-Base interactions energy: -32.571
where: short stacking energy: -30.677
Base-Backbone interact. energy: -0.262
local terms energy: -69.992994
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -2.256
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: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -348.515933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.515933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.515933 (E_RNA)
where:
Base-Base interactions energy: -231.716
where: short stacking energy: -101.491
Base-Backbone interact. energy: -0.767
local terms energy: -116.033542
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -32.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -320.213562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.213562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.213562 (E_RNA)
where:
Base-Base interactions energy: -205.464
where: short stacking energy: -91.608
Base-Backbone interact. energy: -1.876
local terms energy: -112.873641
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -28.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -323.474613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.474613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.474613 (E_RNA)
where:
Base-Base interactions energy: -219.199
where: short stacking energy: -95.546
Base-Backbone interact. energy: -0.660
local terms energy: -103.615322
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -27.857
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: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -275.173157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.173157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.173157 (E_RNA)
where:
Base-Base interactions energy: -170.875
where: short stacking energy: -83.403
Base-Backbone interact. energy: -0.523
local terms energy: -103.775413
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -25.352
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -26.002
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: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -257.841108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.841108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.841108 (E_RNA)
where:
Base-Base interactions energy: -159.755
where: short stacking energy: -77.893
Base-Backbone interact. energy: 0.043
local terms energy: -98.129325
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -22.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -178.047465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.047465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.047465 (E_RNA)
where:
Base-Base interactions energy: -94.548
where: short stacking energy: -55.605
Base-Backbone interact. energy: -0.207
local terms energy: -83.293037
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -10.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -179.902066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.902066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.902066 (E_RNA)
where:
Base-Base interactions energy: -92.046
where: short stacking energy: -56.456
Base-Backbone interact. energy: 0.058
local terms energy: -87.914261
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -176.295526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.295526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.295526 (E_RNA)
where:
Base-Base interactions energy: -101.093
where: short stacking energy: -58.475
Base-Backbone interact. energy: -0.229
local terms energy: -74.973141
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -12.344
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: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -110.498370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.498370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.498370 (E_RNA)
where:
Base-Base interactions energy: -36.828
where: short stacking energy: -36.828
Base-Backbone interact. energy: 0.114
local terms energy: -73.784502
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -97.315780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.315780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.315780 (E_RNA)
where:
Base-Base interactions energy: -32.038
where: short stacking energy: -29.495
Base-Backbone interact. energy: -0.225
local terms energy: -65.052622
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -11.863
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: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -348.765902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.765902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.765902 (E_RNA)
where:
Base-Base interactions energy: -231.545
where: short stacking energy: -108.315
Base-Backbone interact. energy: 0.056
local terms energy: -117.277275
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -33.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -333.966450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.966450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.966450 (E_RNA)
where:
Base-Base interactions energy: -220.518
where: short stacking energy: -104.808
Base-Backbone interact. energy: -1.182
local terms energy: -112.266045
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -19.338
tors. eta vs tors. theta energy: -32.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -312.202253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.202253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.202253 (E_RNA)
where:
Base-Base interactions energy: -204.820
where: short stacking energy: -92.189
Base-Backbone interact. energy: -1.106
local terms energy: -106.276803
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -24.400
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: 23
Temperature: 1.050000
Total energy: -267.493542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.493542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.493542 (E_RNA)
where:
Base-Base interactions energy: -168.733
where: short stacking energy: -87.798
Base-Backbone interact. energy: -0.081
local terms energy: -98.680279
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -266.637869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.637869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.637869 (E_RNA)
where:
Base-Base interactions energy: -169.812
where: short stacking energy: -87.895
Base-Backbone interact. energy: -0.167
local terms energy: -96.658849
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -24.650
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: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -196.873461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.873461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.873461 (E_RNA)
where:
Base-Base interactions energy: -117.401
where: short stacking energy: -73.872
Base-Backbone interact. energy: 0.651
local terms energy: -80.123354
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -176.507482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.507482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.507482 (E_RNA)
where:
Base-Base interactions energy: -99.181
where: short stacking energy: -46.151
Base-Backbone interact. energy: -0.585
local terms energy: -76.741205
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -104.404100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.404100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.404100 (E_RNA)
where:
Base-Base interactions energy: -39.100
where: short stacking energy: -38.998
Base-Backbone interact. energy: 0.278
local terms energy: -65.582609
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -104.154254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.154254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.154254 (E_RNA)
where:
Base-Base interactions energy: -34.883
where: short stacking energy: -34.883
Base-Backbone interact. energy: -0.026
local terms energy: -69.245372
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: 1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -111.965491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.965491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.965491 (E_RNA)
where:
Base-Base interactions energy: -45.740
where: short stacking energy: -30.938
Base-Backbone interact. energy: -0.694
local terms energy: -65.531996
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -347.196471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.196471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.196471 (E_RNA)
where:
Base-Base interactions energy: -227.540
where: short stacking energy: -95.636
Base-Backbone interact. energy: -1.198
local terms energy: -118.458866
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -31.881
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: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -341.704517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.704517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.704517 (E_RNA)
where:
Base-Base interactions energy: -225.710
where: short stacking energy: -92.656
Base-Backbone interact. energy: -2.519
local terms energy: -113.475696
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -19.238
tors. eta vs tors. theta energy: -32.118
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: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -319.730661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.730661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.730661 (E_RNA)
where:
Base-Base interactions energy: -212.556
where: short stacking energy: -91.835
Base-Backbone interact. energy: -0.642
local terms energy: -106.532388
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -27.450
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: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -273.042016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.042016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.042016 (E_RNA)
where:
Base-Base interactions energy: -169.672
where: short stacking energy: -88.297
Base-Backbone interact. energy: -0.039
local terms energy: -103.331081
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -28.741
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: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -248.730835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.730835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.730835 (E_RNA)
where:
Base-Base interactions energy: -163.141
where: short stacking energy: -80.681
Base-Backbone interact. energy: -0.201
local terms energy: -85.388407
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -20.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -172.861834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.861834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.861834 (E_RNA)
where:
Base-Base interactions energy: -96.171
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.204
local terms energy: -76.486565
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -8.486
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -120.082065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.082065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.082065 (E_RNA)
where:
Base-Base interactions energy: -53.743
where: short stacking energy: -39.719
Base-Backbone interact. energy: -0.006
local terms energy: -66.333393
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -9.430
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: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -167.417819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.417819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.417819 (E_RNA)
where:
Base-Base interactions energy: -92.255
where: short stacking energy: -45.279
Base-Backbone interact. energy: -1.524
local terms energy: -73.638590
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -11.378
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: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -123.611817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.611817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.611817 (E_RNA)
where:
Base-Base interactions energy: -50.919
where: short stacking energy: -32.837
Base-Backbone interact. energy: -0.131
local terms energy: -72.561690
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -12.372
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: 10, replica: 2
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -103.974916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.974916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.974916 (E_RNA)
where:
Base-Base interactions energy: -40.192
where: short stacking energy: -39.374
Base-Backbone interact. energy: -0.060
local terms energy: -63.722824
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -345.774692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.774692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.774692 (E_RNA)
where:
Base-Base interactions energy: -230.943
where: short stacking energy: -103.710
Base-Backbone interact. energy: -0.245
local terms energy: -114.586899
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -31.579
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: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -322.034618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.034618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.034618 (E_RNA)
where:
Base-Base interactions energy: -213.906
where: short stacking energy: -94.311
Base-Backbone interact. energy: -0.638
local terms energy: -107.490502
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -28.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -334.853070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.853070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.853070 (E_RNA)
where:
Base-Base interactions energy: -224.688
where: short stacking energy: -95.807
Base-Backbone interact. energy: -1.439
local terms energy: -108.726817
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -31.197
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: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -265.909554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.909554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.909554 (E_RNA)
where:
Base-Base interactions energy: -170.024
where: short stacking energy: -81.434
Base-Backbone interact. energy: -0.111
local terms energy: -95.774154
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -23.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -266.560671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.560671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.560671 (E_RNA)
where:
Base-Base interactions energy: -167.204
where: short stacking energy: -85.846
Base-Backbone interact. energy: -1.220
local terms energy: -98.137070
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -26.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -186.447188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.447188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.447188 (E_RNA)
where:
Base-Base interactions energy: -102.357
where: short stacking energy: -57.742
Base-Backbone interact. energy: -0.034
local terms energy: -84.055928
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -128.188387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.188387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.188387 (E_RNA)
where:
Base-Base interactions energy: -52.412
where: short stacking energy: -40.402
Base-Backbone interact. energy: -0.404
local terms energy: -75.372646
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -109.584895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.584895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.584895 (E_RNA)
where:
Base-Base interactions energy: -47.267
where: short stacking energy: -25.834
Base-Backbone interact. energy: -0.349
local terms energy: -61.968928
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: 2.354
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: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -139.777779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.777779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.777779 (E_RNA)
where:
Base-Base interactions energy: -64.368
where: short stacking energy: -44.116
Base-Backbone interact. energy: -0.037
local terms energy: -75.373166
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -10.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -97.390776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.390776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.390776 (E_RNA)
where:
Base-Base interactions energy: -36.869
where: short stacking energy: -29.222
Base-Backbone interact. energy: -0.245
local terms energy: -60.277181
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: 1.356
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: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -348.810432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.810432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.810432 (E_RNA)
where:
Base-Base interactions energy: -231.229
where: short stacking energy: -104.800
Base-Backbone interact. energy: -0.851
local terms energy: -116.730431
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -32.686
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: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -315.129806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.129806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.129806 (E_RNA)
where:
Base-Base interactions energy: -209.898
where: short stacking energy: -92.127
Base-Backbone interact. energy: -0.086
local terms energy: -105.146210
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -25.551
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -28.521
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: 26
Temperature: 1.000000
Total energy: -336.478211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.478211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.478211 (E_RNA)
where:
Base-Base interactions energy: -218.567
where: short stacking energy: -90.231
Base-Backbone interact. energy: -0.846
local terms energy: -117.064903
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -32.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -274.110258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.110258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.110258 (E_RNA)
where:
Base-Base interactions energy: -177.599
where: short stacking energy: -89.241
Base-Backbone interact. energy: -0.248
local terms energy: -96.263612
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -30.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -264.102961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.102961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.102961 (E_RNA)
where:
Base-Base interactions energy: -174.598
where: short stacking energy: -77.797
Base-Backbone interact. energy: -0.399
local terms energy: -89.106187
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -185.767821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.767821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.767821 (E_RNA)
where:
Base-Base interactions energy: -102.951
where: short stacking energy: -64.274
Base-Backbone interact. energy: 0.396
local terms energy: -83.212471
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -131.215799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.215799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.215799 (E_RNA)
where:
Base-Base interactions energy: -57.288
where: short stacking energy: -54.429
Base-Backbone interact. energy: -0.232
local terms energy: -73.696761
where:
bonds (distance) C4'-P energy: -8.456
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -6.538
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: 26
Temperature: 1.250000
Total energy: -129.262638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.262638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.262638 (E_RNA)
where:
Base-Base interactions energy: -55.817
where: short stacking energy: -39.819
Base-Backbone interact. energy: 0.096
local terms energy: -73.541674
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -104.121982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.121982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.121982 (E_RNA)
where:
Base-Base interactions energy: -48.274
where: short stacking energy: -47.742
Base-Backbone interact. energy: -0.063
local terms energy: -55.785196
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -109.569732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.569732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.569732 (E_RNA)
where:
Base-Base interactions energy: -35.224
where: short stacking energy: -35.224
Base-Backbone interact. energy: -0.135
local terms energy: -74.210646
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -346.257753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.257753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.257753 (E_RNA)
where:
Base-Base interactions energy: -226.397
where: short stacking energy: -98.848
Base-Backbone interact. energy: -0.961
local terms energy: -118.900310
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -20.689
tors. eta vs tors. theta energy: -33.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -333.289422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.289422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.289422 (E_RNA)
where:
Base-Base interactions energy: -223.680
where: short stacking energy: -102.064
Base-Backbone interact. energy: 0.302
local terms energy: -109.911705
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -29.377
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: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -306.328724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.328724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.328724 (E_RNA)
where:
Base-Base interactions energy: -201.004
where: short stacking energy: -88.089
Base-Backbone interact. energy: -0.859
local terms energy: -104.464972
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -29.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -288.299466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.299466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.299466 (E_RNA)
where:
Base-Base interactions energy: -194.434
where: short stacking energy: -93.832
Base-Backbone interact. energy: -0.626
local terms energy: -93.238879
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -25.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -265.213887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.213887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.213887 (E_RNA)
where:
Base-Base interactions energy: -168.678
where: short stacking energy: -80.040
Base-Backbone interact. energy: 0.463
local terms energy: -96.998668
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -23.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -163.306428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.306428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.306428 (E_RNA)
where:
Base-Base interactions energy: -88.592
where: short stacking energy: -48.666
Base-Backbone interact. energy: -0.369
local terms energy: -74.346246
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -5.094
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: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -119.428959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.428959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.428959 (E_RNA)
where:
Base-Base interactions energy: -49.718
where: short stacking energy: -32.536
Base-Backbone interact. energy: 0.767
local terms energy: -70.477567
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -130.404337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.404337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.404337 (E_RNA)
where:
Base-Base interactions energy: -62.038
where: short stacking energy: -39.745
Base-Backbone interact. energy: -0.427
local terms energy: -67.939498
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -5.959
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: 27
Temperature: 1.300000
Total energy: -107.651095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.651095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.651095 (E_RNA)
where:
Base-Base interactions energy: -35.143
where: short stacking energy: -33.760
Base-Backbone interact. energy: -0.234
local terms energy: -72.274980
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -12.522
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: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -105.757097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.757097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.757097 (E_RNA)
where:
Base-Base interactions energy: -42.437
where: short stacking energy: -41.089
Base-Backbone interact. energy: -1.184
local terms energy: -62.135642
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: 0.558
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: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -347.418610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.418610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.418610 (E_RNA)
where:
Base-Base interactions energy: -231.575
where: short stacking energy: -104.276
Base-Backbone interact. energy: -1.205
local terms energy: -114.638697
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -23.087
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -30.662
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: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -338.637346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.637346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.637346 (E_RNA)
where:
Base-Base interactions energy: -221.105
where: short stacking energy: -100.818
Base-Backbone interact. energy: -0.763
local terms energy: -116.769583
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -32.215
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: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -305.437551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.437551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.437551 (E_RNA)
where:
Base-Base interactions energy: -203.021
where: short stacking energy: -86.980
Base-Backbone interact. energy: -0.746
local terms energy: -101.670762
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -24.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -268.773373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.773373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.773373 (E_RNA)
where:
Base-Base interactions energy: -173.760
where: short stacking energy: -87.377
Base-Backbone interact. energy: -0.019
local terms energy: -94.994579
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -24.519
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: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -259.741473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.741473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.741473 (E_RNA)
where:
Base-Base interactions energy: -163.313
where: short stacking energy: -79.108
Base-Backbone interact. energy: -0.591
local terms energy: -95.837781
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -122.468881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.468881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.468881 (E_RNA)
where:
Base-Base interactions energy: -49.025
where: short stacking energy: -48.450
Base-Backbone interact. energy: -0.185
local terms energy: -73.258963
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -129.231726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.231726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.231726 (E_RNA)
where:
Base-Base interactions energy: -57.637
where: short stacking energy: -35.135
Base-Backbone interact. energy: -0.741
local terms energy: -70.854211
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -22.760
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -112.472320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.472320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.472320 (E_RNA)
where:
Base-Base interactions energy: -46.467
where: short stacking energy: -28.652
Base-Backbone interact. energy: -0.377
local terms energy: -65.628229
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: 1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -119.919991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.919991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.919991 (E_RNA)
where:
Base-Base interactions energy: -52.469
where: short stacking energy: -49.842
Base-Backbone interact. energy: 1.004
local terms energy: -68.455445
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -97.611726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.611726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.611726 (E_RNA)
where:
Base-Base interactions energy: -30.190
where: short stacking energy: -30.190
Base-Backbone interact. energy: -0.333
local terms energy: -67.088934
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -13.005
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: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -334.280172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.280172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.280172 (E_RNA)
where:
Base-Base interactions energy: -221.891
where: short stacking energy: -97.329
Base-Backbone interact. energy: -0.354
local terms energy: -112.034861
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -32.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -332.546491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.546491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.546491 (E_RNA)
where:
Base-Base interactions energy: -227.808
where: short stacking energy: -95.188
Base-Backbone interact. energy: 0.025
local terms energy: -104.763770
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -23.724
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -27.880
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: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -325.445350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.445350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.445350 (E_RNA)
where:
Base-Base interactions energy: -216.321
where: short stacking energy: -96.386
Base-Backbone interact. energy: -0.643
local terms energy: -108.481561
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -30.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -258.043470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.043470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.043470 (E_RNA)
where:
Base-Base interactions energy: -167.115
where: short stacking energy: -74.085
Base-Backbone interact. energy: -1.230
local terms energy: -89.698234
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -17.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -258.402670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.402670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.402670 (E_RNA)
where:
Base-Base interactions energy: -169.271
where: short stacking energy: -85.197
Base-Backbone interact. energy: -0.080
local terms energy: -89.052457
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -135.947577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.947577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.947577 (E_RNA)
where:
Base-Base interactions energy: -56.921
where: short stacking energy: -47.556
Base-Backbone interact. energy: -0.219
local terms energy: -78.807228
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -6.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -121.746633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.746633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.746633 (E_RNA)
where:
Base-Base interactions energy: -53.781
where: short stacking energy: -39.632
Base-Backbone interact. energy: 0.277
local terms energy: -68.243070
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -1.221
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: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -112.138840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.138840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.138840 (E_RNA)
where:
Base-Base interactions energy: -43.860
where: short stacking energy: -41.201
Base-Backbone interact. energy: -0.174
local terms energy: -68.104780
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -117.232367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.232367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.232367 (E_RNA)
where:
Base-Base interactions energy: -52.190
where: short stacking energy: -45.602
Base-Backbone interact. energy: -0.166
local terms energy: -64.876367
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -5.435
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -9.492
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: 2
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -98.517500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.517500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.517500 (E_RNA)
where:
Base-Base interactions energy: -39.183
where: short stacking energy: -33.497
Base-Backbone interact. energy: -0.406
local terms energy: -58.929451
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: 1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -338.439008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.439008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.439008 (E_RNA)
where:
Base-Base interactions energy: -228.911
where: short stacking energy: -91.605
Base-Backbone interact. energy: -0.368
local terms energy: -109.160029
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -24.080
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -27.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -330.648178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.648178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.648178 (E_RNA)
where:
Base-Base interactions energy: -219.996
where: short stacking energy: -99.309
Base-Backbone interact. energy: -0.981
local terms energy: -109.671156
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -31.614
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: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -328.774226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.774226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.774226 (E_RNA)
where:
Base-Base interactions energy: -213.307
where: short stacking energy: -93.326
Base-Backbone interact. energy: -1.247
local terms energy: -114.220220
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -31.263
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: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -274.800259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.800259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.800259 (E_RNA)
where:
Base-Base interactions energy: -179.393
where: short stacking energy: -91.750
Base-Backbone interact. energy: -0.049
local terms energy: -95.358640
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -24.986
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: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -268.143951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.143951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.143951 (E_RNA)
where:
Base-Base interactions energy: -176.486
where: short stacking energy: -76.150
Base-Backbone interact. energy: -0.507
local terms energy: -91.151269
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -141.116000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.116000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.116000 (E_RNA)
where:
Base-Base interactions energy: -68.460
where: short stacking energy: -40.353
Base-Backbone interact. energy: -0.539
local terms energy: -72.116674
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -140.789029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.789029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.789029 (E_RNA)
where:
Base-Base interactions energy: -58.839
where: short stacking energy: -41.379
Base-Backbone interact. energy: 0.360
local terms energy: -82.309964
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -9.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -115.583117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.583117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.583117 (E_RNA)
where:
Base-Base interactions energy: -46.368
where: short stacking energy: -43.430
Base-Backbone interact. energy: 0.214
local terms energy: -69.429217
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -11.119
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: 9, replica: 2
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -111.026480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.026480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.026480 (E_RNA)
where:
Base-Base interactions energy: -44.805
where: short stacking energy: -29.806
Base-Backbone interact. energy: -1.177
local terms energy: -65.044952
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -1.967
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: 30
Temperature: 1.350000
Total energy: -92.945478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.945478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.945478 (E_RNA)
where:
Base-Base interactions energy: -38.817
where: short stacking energy: -22.250
Base-Backbone interact. energy: -0.305
local terms energy: -53.823126
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: 3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -328.834085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.834085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.834085 (E_RNA)
where:
Base-Base interactions energy: -226.354
where: short stacking energy: -86.718
Base-Backbone interact. energy: -1.727
local terms energy: -100.753460
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -25.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -338.267096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.267096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.267096 (E_RNA)
where:
Base-Base interactions energy: -227.058
where: short stacking energy: -101.440
Base-Backbone interact. energy: 1.846
local terms energy: -113.054285
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -28.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -333.168372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.168372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.168372 (E_RNA)
where:
Base-Base interactions energy: -224.295
where: short stacking energy: -99.209
Base-Backbone interact. energy: -0.867
local terms energy: -108.006406
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -32.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -271.585956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.585956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.585956 (E_RNA)
where:
Base-Base interactions energy: -177.676
where: short stacking energy: -89.123
Base-Backbone interact. energy: -0.116
local terms energy: -93.794700
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -17.486
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: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -264.728450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.728450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.728450 (E_RNA)
where:
Base-Base interactions energy: -166.023
where: short stacking energy: -77.711
Base-Backbone interact. energy: -0.436
local terms energy: -98.269614
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -186.377830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.377830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.377830 (E_RNA)
where:
Base-Base interactions energy: -112.483
where: short stacking energy: -67.840
Base-Backbone interact. energy: 1.092
local terms energy: -74.986624
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -11.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -116.302693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.302693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.302693 (E_RNA)
where:
Base-Base interactions energy: -38.352
where: short stacking energy: -34.006
Base-Backbone interact. energy: 2.312
local terms energy: -80.263252
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -2.333
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: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -122.476179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.476179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.476179 (E_RNA)
where:
Base-Base interactions energy: -44.437
where: short stacking energy: -42.542
Base-Backbone interact. energy: -0.074
local terms energy: -77.965644
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -116.892137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.892137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.892137 (E_RNA)
where:
Base-Base interactions energy: -49.210
where: short stacking energy: -47.904
Base-Backbone interact. energy: 1.021
local terms energy: -68.703362
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -103.440472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.440472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.440472 (E_RNA)
where:
Base-Base interactions energy: -36.659
where: short stacking energy: -32.472
Base-Backbone interact. energy: 1.404
local terms energy: -68.185165
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -11.134
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: 32
Temperature: 0.900000
Total energy: -341.606295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.606295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.606295 (E_RNA)
where:
Base-Base interactions energy: -226.528
where: short stacking energy: -105.975
Base-Backbone interact. energy: -0.667
local terms energy: -114.411543
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -31.131
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: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -326.511394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.511394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.511394 (E_RNA)
where:
Base-Base interactions energy: -224.093
where: short stacking energy: -84.651
Base-Backbone interact. energy: -0.228
local terms energy: -102.189969
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -25.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -335.313032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.313032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.313032 (E_RNA)
where:
Base-Base interactions energy: -222.915
where: short stacking energy: -91.893
Base-Backbone interact. energy: -1.091
local terms energy: -111.307137
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -29.389
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: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -267.168482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.168482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.168482 (E_RNA)
where:
Base-Base interactions energy: -157.611
where: short stacking energy: -77.714
Base-Backbone interact. energy: -0.023
local terms energy: -109.534107
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -25.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -222.671278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.671278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.671278 (E_RNA)
where:
Base-Base interactions energy: -145.560
where: short stacking energy: -69.894
Base-Backbone interact. energy: 0.071
local terms energy: -77.182972
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -259.403543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.403543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.403543 (E_RNA)
where:
Base-Base interactions energy: -165.091
where: short stacking energy: -82.582
Base-Backbone interact. energy: 1.030
local terms energy: -95.342515
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -23.513
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: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -133.020259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.020259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.020259 (E_RNA)
where:
Base-Base interactions energy: -53.430
where: short stacking energy: -45.488
Base-Backbone interact. energy: -0.350
local terms energy: -79.240887
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -10.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -130.568239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.568239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.568239 (E_RNA)
where:
Base-Base interactions energy: -67.562
where: short stacking energy: -45.331
Base-Backbone interact. energy: -0.348
local terms energy: -62.658128
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -101.321780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.321780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.321780 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -35.128
Base-Backbone interact. energy: -0.190
local terms energy: -66.004087
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -102.751328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.751328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.751328 (E_RNA)
where:
Base-Base interactions energy: -48.187
where: short stacking energy: -39.124
Base-Backbone interact. energy: -1.133
local terms energy: -53.431273
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -346.981599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.981599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.981599 (E_RNA)
where:
Base-Base interactions energy: -231.646
where: short stacking energy: -103.782
Base-Backbone interact. energy: -1.009
local terms energy: -114.326384
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -32.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -342.490515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.490515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.490515 (E_RNA)
where:
Base-Base interactions energy: -230.058
where: short stacking energy: -100.508
Base-Backbone interact. energy: -0.326
local terms energy: -112.105689
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -33.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -321.949569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.949569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.949569 (E_RNA)
where:
Base-Base interactions energy: -217.804
where: short stacking energy: -89.971
Base-Backbone interact. energy: -0.198
local terms energy: -103.947674
where:
bonds (distance) C4'-P energy: -23.421
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -27.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -267.200267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.200267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.200267 (E_RNA)
where:
Base-Base interactions energy: -167.299
where: short stacking energy: -79.946
Base-Backbone interact. energy: -0.220
local terms energy: -99.680867
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -24.337
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -253.338299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.338299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.338299 (E_RNA)
where:
Base-Base interactions energy: -165.041
where: short stacking energy: -88.861
Base-Backbone interact. energy: -0.147
local terms energy: -88.150961
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -25.462
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: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -258.882139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.882139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.882139 (E_RNA)
where:
Base-Base interactions energy: -150.849
where: short stacking energy: -71.146
Base-Backbone interact. energy: -0.607
local terms energy: -107.426464
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -19.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -127.007604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.007604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.007604 (E_RNA)
where:
Base-Base interactions energy: -45.803
where: short stacking energy: -44.139
Base-Backbone interact. energy: -0.107
local terms energy: -81.097513
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -129.235861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.235861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.235861 (E_RNA)
where:
Base-Base interactions energy: -49.035
where: short stacking energy: -38.004
Base-Backbone interact. energy: -0.040
local terms energy: -80.160090
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -9.091
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: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -130.381647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.381647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.381647 (E_RNA)
where:
Base-Base interactions energy: -57.869
where: short stacking energy: -49.107
Base-Backbone interact. energy: -0.720
local terms energy: -71.792554
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -7.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -109.616349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.616349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.616349 (E_RNA)
where:
Base-Base interactions energy: -49.517
where: short stacking energy: -48.564
Base-Backbone interact. energy: -0.775
local terms energy: -59.324539
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -4.935
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: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -335.504333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.504333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.504333 (E_RNA)
where:
Base-Base interactions energy: -219.588
where: short stacking energy: -99.597
Base-Backbone interact. energy: -0.646
local terms energy: -115.269933
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -30.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -323.766030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.766030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.766030 (E_RNA)
where:
Base-Base interactions energy: -221.377
where: short stacking energy: -90.983
Base-Backbone interact. energy: -0.623
local terms energy: -101.765998
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -30.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -314.569394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.569394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.569394 (E_RNA)
where:
Base-Base interactions energy: -203.764
where: short stacking energy: -87.347
Base-Backbone interact. energy: -0.740
local terms energy: -110.065649
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -27.340
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: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -266.523720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.523720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.523720 (E_RNA)
where:
Base-Base interactions energy: -182.009
where: short stacking energy: -88.328
Base-Backbone interact. energy: -0.433
local terms energy: -84.081601
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -13.121
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: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -262.390321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.390321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.390321 (E_RNA)
where:
Base-Base interactions energy: -166.819
where: short stacking energy: -84.571
Base-Backbone interact. energy: -0.082
local terms energy: -95.489872
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -22.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -237.420960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.420960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.420960 (E_RNA)
where:
Base-Base interactions energy: -149.429
where: short stacking energy: -76.926
Base-Backbone interact. energy: -0.036
local terms energy: -87.956812
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -120.320861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.320861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.320861 (E_RNA)
where:
Base-Base interactions energy: -48.757
where: short stacking energy: -39.558
Base-Backbone interact. energy: -0.425
local terms energy: -71.138886
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -1.981
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: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -116.216907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.216907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.216907 (E_RNA)
where:
Base-Base interactions energy: -51.697
where: short stacking energy: -44.124
Base-Backbone interact. energy: -0.164
local terms energy: -64.356667
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -99.102310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.102310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.102310 (E_RNA)
where:
Base-Base interactions energy: -35.556
where: short stacking energy: -33.544
Base-Backbone interact. energy: 0.191
local terms energy: -63.737766
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -112.757488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.757488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.757488 (E_RNA)
where:
Base-Base interactions energy: -43.368
where: short stacking energy: -42.790
Base-Backbone interact. energy: -1.325
local terms energy: -68.064102
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -350.102503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.102503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.102503 (E_RNA)
where:
Base-Base interactions energy: -235.834
where: short stacking energy: -101.899
Base-Backbone interact. energy: -2.001
local terms energy: -112.267874
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -33.292
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: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -330.649349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.649349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.649349 (E_RNA)
where:
Base-Base interactions energy: -224.211
where: short stacking energy: -83.877
Base-Backbone interact. energy: -0.165
local terms energy: -106.273524
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -29.495
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: 4
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -331.812345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.812345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.812345 (E_RNA)
where:
Base-Base interactions energy: -227.387
where: short stacking energy: -103.914
Base-Backbone interact. energy: -1.249
local terms energy: -103.177158
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -21.660
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -32.715
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: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -259.032586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.032586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.032586 (E_RNA)
where:
Base-Base interactions energy: -160.749
where: short stacking energy: -76.417
Base-Backbone interact. energy: 0.620
local terms energy: -98.903943
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -18.868
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: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -261.925658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.925658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.925658 (E_RNA)
where:
Base-Base interactions energy: -163.779
where: short stacking energy: -81.084
Base-Backbone interact. energy: -1.250
local terms energy: -96.896481
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -24.110
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: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -144.864356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.864356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.864356 (E_RNA)
where:
Base-Base interactions energy: -78.015
where: short stacking energy: -50.302
Base-Backbone interact. energy: -0.172
local terms energy: -66.677350
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -237.713969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.713969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.713969 (E_RNA)
where:
Base-Base interactions energy: -154.407
where: short stacking energy: -75.394
Base-Backbone interact. energy: -0.941
local terms energy: -82.365979
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -12.125
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: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -103.614659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.614659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.614659 (E_RNA)
where:
Base-Base interactions energy: -40.720
where: short stacking energy: -34.621
Base-Backbone interact. energy: -0.375
local terms energy: -62.519334
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -102.381958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.381958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.381958 (E_RNA)
where:
Base-Base interactions energy: -40.117
where: short stacking energy: -33.565
Base-Backbone interact. energy: 0.629
local terms energy: -62.893453
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: 4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -101.098135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.098135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.098135 (E_RNA)
where:
Base-Base interactions energy: -37.855
where: short stacking energy: -29.419
Base-Backbone interact. energy: -0.599
local terms energy: -62.644240
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -351.356450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.356450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.356450 (E_RNA)
where:
Base-Base interactions energy: -234.118
where: short stacking energy: -105.021
Base-Backbone interact. energy: -1.876
local terms energy: -115.362926
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -24.487
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -32.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -324.776493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.776493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.776493 (E_RNA)
where:
Base-Base interactions energy: -223.067
where: short stacking energy: -88.157
Base-Backbone interact. energy: -1.383
local terms energy: -100.327091
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -25.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -341.259379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.259379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.259379 (E_RNA)
where:
Base-Base interactions energy: -234.348
where: short stacking energy: -103.690
Base-Backbone interact. energy: 0.548
local terms energy: -107.459332
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -32.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -271.540154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.540154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.540154 (E_RNA)
where:
Base-Base interactions energy: -171.652
where: short stacking energy: -89.854
Base-Backbone interact. energy: -0.269
local terms energy: -99.618816
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -22.338
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: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -269.253901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.253901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.253901 (E_RNA)
where:
Base-Base interactions energy: -177.495
where: short stacking energy: -85.334
Base-Backbone interact. energy: -0.134
local terms energy: -91.624915
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -21.745
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: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -131.364488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.364488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.364488 (E_RNA)
where:
Base-Base interactions energy: -46.482
where: short stacking energy: -46.482
Base-Backbone interact. energy: -0.150
local terms energy: -84.732325
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -249.941352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.941352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.941352 (E_RNA)
where:
Base-Base interactions energy: -158.657
where: short stacking energy: -81.215
Base-Backbone interact. energy: -0.444
local terms energy: -90.839875
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -24.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -118.353820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.353820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.353820 (E_RNA)
where:
Base-Base interactions energy: -51.621
where: short stacking energy: -53.321
Base-Backbone interact. energy: 0.591
local terms energy: -67.323816
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -108.805245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.805245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.805245 (E_RNA)
where:
Base-Base interactions energy: -42.433
where: short stacking energy: -34.469
Base-Backbone interact. energy: 1.902
local terms energy: -68.273872
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -98.887706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.887706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.887706 (E_RNA)
where:
Base-Base interactions energy: -44.490
where: short stacking energy: -42.835
Base-Backbone interact. energy: 0.022
local terms energy: -54.419675
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: 3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -338.412690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.412690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.412690 (E_RNA)
where:
Base-Base interactions energy: -229.795
where: short stacking energy: -104.285
Base-Backbone interact. energy: -0.249
local terms energy: -108.368451
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -32.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -338.510074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.510074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.510074 (E_RNA)
where:
Base-Base interactions energy: -229.061
where: short stacking energy: -95.709
Base-Backbone interact. energy: -1.163
local terms energy: -108.285889
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -32.711
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: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -324.231574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.231574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.231574 (E_RNA)
where:
Base-Base interactions energy: -222.983
where: short stacking energy: -87.769
Base-Backbone interact. energy: -0.247
local terms energy: -101.001181
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -25.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -273.676405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.676405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.676405 (E_RNA)
where:
Base-Base interactions energy: -174.158
where: short stacking energy: -83.142
Base-Backbone interact. energy: -0.242
local terms energy: -99.276454
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -25.813
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: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -257.406671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.406671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.406671 (E_RNA)
where:
Base-Base interactions energy: -156.442
where: short stacking energy: -77.632
Base-Backbone interact. energy: -0.222
local terms energy: -100.742527
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -258.803605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.803605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.803605 (E_RNA)
where:
Base-Base interactions energy: -162.099
where: short stacking energy: -69.391
Base-Backbone interact. energy: -1.104
local terms energy: -95.599709
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -22.617
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: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -123.986441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.986441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.986441 (E_RNA)
where:
Base-Base interactions energy: -53.134
where: short stacking energy: -42.410
Base-Backbone interact. energy: 1.151
local terms energy: -72.004374
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -7.375
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: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -118.484294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.484294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.484294 (E_RNA)
where:
Base-Base interactions energy: -42.640
where: short stacking energy: -39.444
Base-Backbone interact. energy: -0.228
local terms energy: -75.615991
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -9.319
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: 37
Temperature: 1.300000
Total energy: -110.011138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.011138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.011138 (E_RNA)
where:
Base-Base interactions energy: -48.706
where: short stacking energy: -31.694
Base-Backbone interact. energy: 1.076
local terms energy: -62.380801
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -105.826011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.826011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.826011 (E_RNA)
where:
Base-Base interactions energy: -37.955
where: short stacking energy: -35.271
Base-Backbone interact. energy: -0.223
local terms energy: -67.648160
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -2.553
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: 38
Temperature: 0.900000
Total energy: -347.061553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.061553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.061553 (E_RNA)
where:
Base-Base interactions energy: -243.588
where: short stacking energy: -103.897
Base-Backbone interact. energy: -0.970
local terms energy: -102.503296
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -22.963
flat angles C4'-P-C4' energy: -22.944
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -25.826
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: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -331.912872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.912872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.912872 (E_RNA)
where:
Base-Base interactions energy: -223.107
where: short stacking energy: -104.680
Base-Backbone interact. energy: -0.006
local terms energy: -108.800194
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -32.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -321.922425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.922425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.922425 (E_RNA)
where:
Base-Base interactions energy: -227.551
where: short stacking energy: -88.496
Base-Backbone interact. energy: -0.569
local terms energy: -93.802843
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -23.263
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: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -273.062697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.062697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.062697 (E_RNA)
where:
Base-Base interactions energy: -170.634
where: short stacking energy: -85.474
Base-Backbone interact. energy: -0.100
local terms energy: -102.329098
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -25.743
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: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -263.571418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.571418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.571418 (E_RNA)
where:
Base-Base interactions energy: -166.221
where: short stacking energy: -82.855
Base-Backbone interact. energy: 1.304
local terms energy: -98.655017
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -253.542943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.542943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.542943 (E_RNA)
where:
Base-Base interactions energy: -170.504
where: short stacking energy: -82.179
Base-Backbone interact. energy: -0.044
local terms energy: -82.994855
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -21.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -122.662560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.662560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.662560 (E_RNA)
where:
Base-Base interactions energy: -52.508
where: short stacking energy: -33.095
Base-Backbone interact. energy: 0.957
local terms energy: -71.111736
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -96.385481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.385481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.385481 (E_RNA)
where:
Base-Base interactions energy: -30.787
where: short stacking energy: -26.755
Base-Backbone interact. energy: -1.112
local terms energy: -64.486210
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: 1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -112.483613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.483613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.483613 (E_RNA)
where:
Base-Base interactions energy: -46.444
where: short stacking energy: -37.719
Base-Backbone interact. energy: -0.131
local terms energy: -65.908929
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -131.101788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.101788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.101788 (E_RNA)
where:
Base-Base interactions energy: -65.685
where: short stacking energy: -36.600
Base-Backbone interact. energy: 0.218
local terms energy: -65.635248
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -339.281297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.281297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.281297 (E_RNA)
where:
Base-Base interactions energy: -231.874
where: short stacking energy: -94.540
Base-Backbone interact. energy: -0.022
local terms energy: -107.385919
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -31.649
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: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -342.843163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.843163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.843163 (E_RNA)
where:
Base-Base interactions energy: -230.397
where: short stacking energy: -103.885
Base-Backbone interact. energy: -0.631
local terms energy: -111.814824
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -30.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -318.126641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.126641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.126641 (E_RNA)
where:
Base-Base interactions energy: -214.893
where: short stacking energy: -94.575
Base-Backbone interact. energy: -0.159
local terms energy: -103.074577
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -25.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -264.876841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.876841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.876841 (E_RNA)
where:
Base-Base interactions energy: -167.871
where: short stacking energy: -83.320
Base-Backbone interact. energy: -1.045
local terms energy: -95.961298
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -24.237
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -268.629922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.629922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.629922 (E_RNA)
where:
Base-Base interactions energy: -172.856
where: short stacking energy: -74.995
Base-Backbone interact. energy: -0.042
local terms energy: -95.731974
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -255.804528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.804528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.804528 (E_RNA)
where:
Base-Base interactions energy: -165.355
where: short stacking energy: -80.588
Base-Backbone interact. energy: 0.179
local terms energy: -90.628179
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -125.940649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.940649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.940649 (E_RNA)
where:
Base-Base interactions energy: -57.443
where: short stacking energy: -36.622
Base-Backbone interact. energy: -0.690
local terms energy: -67.807436
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -10.435
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: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -113.951821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.951821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.951821 (E_RNA)
where:
Base-Base interactions energy: -46.509
where: short stacking energy: -41.591
Base-Backbone interact. energy: 0.504
local terms energy: -67.947321
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -24.643
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -102.318827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.318827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.318827 (E_RNA)
where:
Base-Base interactions energy: -41.059
where: short stacking energy: -27.758
Base-Backbone interact. energy: -0.071
local terms energy: -61.189466
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: 1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -98.446347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.446347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.446347 (E_RNA)
where:
Base-Base interactions energy: -35.194
where: short stacking energy: -28.398
Base-Backbone interact. energy: 0.479
local terms energy: -63.731562
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -6.927
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: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -343.463240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.463240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.463240 (E_RNA)
where:
Base-Base interactions energy: -230.290
where: short stacking energy: -100.623
Base-Backbone interact. energy: -0.616
local terms energy: -112.557432
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -31.992
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: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -340.211241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.211241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.211241 (E_RNA)
where:
Base-Base interactions energy: -231.988
where: short stacking energy: -96.420
Base-Backbone interact. energy: -1.418
local terms energy: -106.805424
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -28.863
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: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -312.472169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.472169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.472169 (E_RNA)
where:
Base-Base interactions energy: -199.591
where: short stacking energy: -91.198
Base-Backbone interact. energy: -0.044
local terms energy: -112.836570
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -19.238
tors. eta vs tors. theta energy: -30.300
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: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -273.809516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.809516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.809516 (E_RNA)
where:
Base-Base interactions energy: -169.743
where: short stacking energy: -90.264
Base-Backbone interact. energy: -0.042
local terms energy: -104.024563
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -26.112
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: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -263.466316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.466316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.466316 (E_RNA)
where:
Base-Base interactions energy: -171.141
where: short stacking energy: -84.638
Base-Backbone interact. energy: -0.059
local terms energy: -92.266178
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -24.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -259.372466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.372466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.372466 (E_RNA)
where:
Base-Base interactions energy: -165.569
where: short stacking energy: -91.003
Base-Backbone interact. energy: 0.304
local terms energy: -94.107857
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -23.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -124.520862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.520862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.520862 (E_RNA)
where:
Base-Base interactions energy: -55.619
where: short stacking energy: -48.373
Base-Backbone interact. energy: 3.852
local terms energy: -72.754022
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -7.553
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -7.836
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: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -126.277375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.277375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.277375 (E_RNA)
where:
Base-Base interactions energy: -49.503
where: short stacking energy: -37.957
Base-Backbone interact. energy: -1.739
local terms energy: -75.035519
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -11.180
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: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -115.158828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.158828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.158828 (E_RNA)
where:
Base-Base interactions energy: -45.249
where: short stacking energy: -44.900
Base-Backbone interact. energy: 1.487
local terms energy: -71.397135
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -12.084
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: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -108.854026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.854026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.854026 (E_RNA)
where:
Base-Base interactions energy: -42.389
where: short stacking energy: -37.214
Base-Backbone interact. energy: 0.036
local terms energy: -66.501468
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -8.925
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: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -345.285989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.285989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.285989 (E_RNA)
where:
Base-Base interactions energy: -232.831
where: short stacking energy: -104.049
Base-Backbone interact. energy: -1.410
local terms energy: -111.044137
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -34.222
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: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -345.105516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.105516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.105516 (E_RNA)
where:
Base-Base interactions energy: -234.164
where: short stacking energy: -105.050
Base-Backbone interact. energy: -0.047
local terms energy: -110.894531
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -31.868
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: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -333.801925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.801925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.801925 (E_RNA)
where:
Base-Base interactions energy: -222.339
where: short stacking energy: -91.496
Base-Backbone interact. energy: -0.686
local terms energy: -110.776983
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -31.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -268.401369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.401369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.401369 (E_RNA)
where:
Base-Base interactions energy: -164.260
where: short stacking energy: -92.488
Base-Backbone interact. energy: -0.774
local terms energy: -103.367338
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -29.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -274.023932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.023932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.023932 (E_RNA)
where:
Base-Base interactions energy: -176.782
where: short stacking energy: -90.895
Base-Backbone interact. energy: -0.151
local terms energy: -97.090991
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -272.082978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.082978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.082978 (E_RNA)
where:
Base-Base interactions energy: -186.067
where: short stacking energy: -93.855
Base-Backbone interact. energy: -0.006
local terms energy: -86.010411
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -20.612
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: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -120.639134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.639134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.639134 (E_RNA)
where:
Base-Base interactions energy: -49.929
where: short stacking energy: -46.788
Base-Backbone interact. energy: -0.188
local terms energy: -70.521999
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -11.439
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: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -112.277364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.277364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.277364 (E_RNA)
where:
Base-Base interactions energy: -42.134
where: short stacking energy: -40.860
Base-Backbone interact. energy: -0.623
local terms energy: -69.520383
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -23.066
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -118.412539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.412539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.412539 (E_RNA)
where:
Base-Base interactions energy: -46.416
where: short stacking energy: -45.903
Base-Backbone interact. energy: 0.008
local terms energy: -72.004781
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -116.042502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.042502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.042502 (E_RNA)
where:
Base-Base interactions energy: -52.661
where: short stacking energy: -45.811
Base-Backbone interact. energy: 0.075
local terms energy: -63.456422
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -6.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -347.857267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.857267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.857267 (E_RNA)
where:
Base-Base interactions energy: -235.297
where: short stacking energy: -101.889
Base-Backbone interact. energy: -1.023
local terms energy: -111.537326
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -33.727
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: 42
Temperature: 0.950000
Total energy: -341.448576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.448576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.448576 (E_RNA)
where:
Base-Base interactions energy: -228.210
where: short stacking energy: -99.496
Base-Backbone interact. energy: -2.530
local terms energy: -110.708613
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -33.835
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: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -327.813814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.813814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.813814 (E_RNA)
where:
Base-Base interactions energy: -220.177
where: short stacking energy: -87.926
Base-Backbone interact. energy: -0.009
local terms energy: -107.628148
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -29.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -271.969239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.969239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.969239 (E_RNA)
where:
Base-Base interactions energy: -177.182
where: short stacking energy: -87.498
Base-Backbone interact. energy: 0.350
local terms energy: -95.137170
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -268.515109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.515109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.515109 (E_RNA)
where:
Base-Base interactions energy: -171.420
where: short stacking energy: -76.106
Base-Backbone interact. energy: -1.140
local terms energy: -95.955118
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -14.358
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: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -260.613551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.613551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.613551 (E_RNA)
where:
Base-Base interactions energy: -159.180
where: short stacking energy: -72.943
Base-Backbone interact. energy: -0.015
local terms energy: -101.418545
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -25.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -127.748391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.748391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.748391 (E_RNA)
where:
Base-Base interactions energy: -56.517
where: short stacking energy: -37.605
Base-Backbone interact. energy: 0.023
local terms energy: -71.253867
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -122.136827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.136827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.136827 (E_RNA)
where:
Base-Base interactions energy: -44.763
where: short stacking energy: -38.847
Base-Backbone interact. energy: -0.911
local terms energy: -76.463113
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -8.518
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: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -121.162247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.162247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.162247 (E_RNA)
where:
Base-Base interactions energy: -56.915
where: short stacking energy: -44.987
Base-Backbone interact. energy: -0.333
local terms energy: -63.914783
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -101.415579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.415579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.415579 (E_RNA)
where:
Base-Base interactions energy: -47.688
where: short stacking energy: -31.204
Base-Backbone interact. energy: -1.350
local terms energy: -52.377527
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -346.701843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.701843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.701843 (E_RNA)
where:
Base-Base interactions energy: -235.228
where: short stacking energy: -108.563
Base-Backbone interact. energy: 0.567
local terms energy: -112.040962
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -34.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -333.220474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.220474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.220474 (E_RNA)
where:
Base-Base interactions energy: -220.960
where: short stacking energy: -96.663
Base-Backbone interact. energy: -0.261
local terms energy: -111.998870
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -31.756
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: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -315.146373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.146373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.146373 (E_RNA)
where:
Base-Base interactions energy: -216.216
where: short stacking energy: -90.632
Base-Backbone interact. energy: -0.912
local terms energy: -98.018401
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -26.475
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: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -274.413340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.413340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.413340 (E_RNA)
where:
Base-Base interactions energy: -187.326
where: short stacking energy: -92.117
Base-Backbone interact. energy: 1.103
local terms energy: -88.190690
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -22.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -247.488953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.488953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.488953 (E_RNA)
where:
Base-Base interactions energy: -153.125
where: short stacking energy: -80.319
Base-Backbone interact. energy: 0.730
local terms energy: -95.093768
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -270.207349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.207349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.207349 (E_RNA)
where:
Base-Base interactions energy: -170.516
where: short stacking energy: -82.282
Base-Backbone interact. energy: 0.042
local terms energy: -99.733173
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -22.781
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: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -151.887031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.887031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.887031 (E_RNA)
where:
Base-Base interactions energy: -79.027
where: short stacking energy: -43.956
Base-Backbone interact. energy: -0.620
local terms energy: -72.240146
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -109.714169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.714169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.714169 (E_RNA)
where:
Base-Base interactions energy: -44.762
where: short stacking energy: -36.444
Base-Backbone interact. energy: 0.135
local terms energy: -65.087151
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -6.275
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: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -106.098978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.098978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.098978 (E_RNA)
where:
Base-Base interactions energy: -36.820
where: short stacking energy: -30.689
Base-Backbone interact. energy: -0.235
local terms energy: -69.044102
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -100.052350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.052350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.052350 (E_RNA)
where:
Base-Base interactions energy: -35.088
where: short stacking energy: -21.102
Base-Backbone interact. energy: -0.646
local terms energy: -64.319220
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: 6.943
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: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -340.198412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.198412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.198412 (E_RNA)
where:
Base-Base interactions energy: -227.201
where: short stacking energy: -100.790
Base-Backbone interact. energy: -2.613
local terms energy: -110.384460
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -31.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -334.375526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.375526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.375526 (E_RNA)
where:
Base-Base interactions energy: -223.249
where: short stacking energy: -99.706
Base-Backbone interact. energy: -1.260
local terms energy: -109.866721
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -32.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -274.809519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.809519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.809519 (E_RNA)
where:
Base-Base interactions energy: -183.311
where: short stacking energy: -86.601
Base-Backbone interact. energy: -0.890
local terms energy: -90.608587
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -320.355369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.355369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.355369 (E_RNA)
where:
Base-Base interactions energy: -221.323
where: short stacking energy: -87.201
Base-Backbone interact. energy: -0.299
local terms energy: -98.733501
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -27.273
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: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -269.008521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.008521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.008521 (E_RNA)
where:
Base-Base interactions energy: -173.508
where: short stacking energy: -88.408
Base-Backbone interact. energy: -0.506
local terms energy: -94.994215
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -24.531
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: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -234.379639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.379639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.379639 (E_RNA)
where:
Base-Base interactions energy: -138.471
where: short stacking energy: -72.832
Base-Backbone interact. energy: 0.355
local terms energy: -96.263236
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -154.546282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.546282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.546282 (E_RNA)
where:
Base-Base interactions energy: -79.909
where: short stacking energy: -51.879
Base-Backbone interact. energy: -0.169
local terms energy: -74.468695
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -114.290012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.290012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.290012 (E_RNA)
where:
Base-Base interactions energy: -43.133
where: short stacking energy: -43.133
Base-Backbone interact. energy: -0.186
local terms energy: -70.970585
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -21.749
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -9.350
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: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -105.312383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.312383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.312383 (E_RNA)
where:
Base-Base interactions energy: -44.378
where: short stacking energy: -44.203
Base-Backbone interact. energy: -1.068
local terms energy: -59.866236
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -106.589331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.589331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.589331 (E_RNA)
where:
Base-Base interactions energy: -42.095
where: short stacking energy: -40.143
Base-Backbone interact. energy: -0.331
local terms energy: -64.163764
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -339.964635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.964635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.964635 (E_RNA)
where:
Base-Base interactions energy: -229.960
where: short stacking energy: -96.776
Base-Backbone interact. energy: -0.899
local terms energy: -109.105121
where:
bonds (distance) C4'-P energy: -22.690
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -31.225
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: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -337.819913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.819913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.819913 (E_RNA)
where:
Base-Base interactions energy: -226.842
where: short stacking energy: -100.181
Base-Backbone interact. energy: -1.126
local terms energy: -109.852194
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -23.941
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -29.833
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: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -258.525884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.525884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.525884 (E_RNA)
where:
Base-Base interactions energy: -166.573
where: short stacking energy: -76.721
Base-Backbone interact. energy: -0.367
local terms energy: -91.586254
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -314.102907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.102907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.102907 (E_RNA)
where:
Base-Base interactions energy: -205.509
where: short stacking energy: -79.551
Base-Backbone interact. energy: -1.133
local terms energy: -107.460846
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -28.993
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: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -262.878963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.878963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.878963 (E_RNA)
where:
Base-Base interactions energy: -172.069
where: short stacking energy: -83.828
Base-Backbone interact. energy: -1.035
local terms energy: -89.774275
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -236.918113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.918113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.918113 (E_RNA)
where:
Base-Base interactions energy: -144.771
where: short stacking energy: -78.782
Base-Backbone interact. energy: -0.233
local terms energy: -91.914900
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -21.889
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: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -171.323070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.323070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.323070 (E_RNA)
where:
Base-Base interactions energy: -89.155
where: short stacking energy: -51.254
Base-Backbone interact. energy: -0.142
local terms energy: -82.026704
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -108.574018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.574018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.574018 (E_RNA)
where:
Base-Base interactions energy: -35.987
where: short stacking energy: -35.987
Base-Backbone interact. energy: -1.407
local terms energy: -71.180337
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -24.805
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: 1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -108.300432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.300432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.300432 (E_RNA)
where:
Base-Base interactions energy: -39.847
where: short stacking energy: -39.847
Base-Backbone interact. energy: -0.204
local terms energy: -68.249608
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -103.793304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.793304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.793304 (E_RNA)
where:
Base-Base interactions energy: -31.703
where: short stacking energy: -31.368
Base-Backbone interact. energy: -0.041
local terms energy: -72.048575
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -346.008920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.008920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.008920 (E_RNA)
where:
Base-Base interactions energy: -228.385
where: short stacking energy: -104.225
Base-Backbone interact. energy: -1.199
local terms energy: -116.424203
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -34.714
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: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -327.746079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.746079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.746079 (E_RNA)
where:
Base-Base interactions energy: -216.489
where: short stacking energy: -89.735
Base-Backbone interact. energy: -0.510
local terms energy: -110.747663
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -30.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -325.061043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.061043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.061043 (E_RNA)
where:
Base-Base interactions energy: -219.955
where: short stacking energy: -88.124
Base-Backbone interact. energy: -0.850
local terms energy: -104.255304
where:
bonds (distance) C4'-P energy: -22.450
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -28.367
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: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -261.526775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.526775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.526775 (E_RNA)
where:
Base-Base interactions energy: -172.659
where: short stacking energy: -84.160
Base-Backbone interact. energy: -0.636
local terms energy: -88.231401
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -258.672906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.672906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.672906 (E_RNA)
where:
Base-Base interactions energy: -161.556
where: short stacking energy: -76.094
Base-Backbone interact. energy: -0.236
local terms energy: -96.880704
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -22.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -260.163009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.163009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.163009 (E_RNA)
where:
Base-Base interactions energy: -177.856
where: short stacking energy: -88.589
Base-Backbone interact. energy: -0.063
local terms energy: -82.243726
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -28.802
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: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -165.012230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.012230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.012230 (E_RNA)
where:
Base-Base interactions energy: -83.104
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.425
local terms energy: -81.483288
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -134.880702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.880702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.880702 (E_RNA)
where:
Base-Base interactions energy: -57.007
where: short stacking energy: -52.398
Base-Backbone interact. energy: -0.087
local terms energy: -77.785850
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -117.015149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.015149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.015149 (E_RNA)
where:
Base-Base interactions energy: -45.326
where: short stacking energy: -42.979
Base-Backbone interact. energy: -0.096
local terms energy: -71.593344
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -105.902700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.902700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.902700 (E_RNA)
where:
Base-Base interactions energy: -36.763
where: short stacking energy: -36.585
Base-Backbone interact. energy: -0.122
local terms energy: -69.018007
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: 0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -353.896879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.896879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.896879 (E_RNA)
where:
Base-Base interactions energy: -236.313
where: short stacking energy: -102.085
Base-Backbone interact. energy: -1.312
local terms energy: -116.272098
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -34.856
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: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -329.333890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.333890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.333890 (E_RNA)
where:
Base-Base interactions energy: -225.643
where: short stacking energy: -93.679
Base-Backbone interact. energy: 0.561
local terms energy: -104.252069
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -16.842
tors. eta vs tors. theta energy: -29.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -333.620174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.620174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.620174 (E_RNA)
where:
Base-Base interactions energy: -225.135
where: short stacking energy: -95.390
Base-Backbone interact. energy: -2.235
local terms energy: -106.250048
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -19.359
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -31.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -263.716589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.716589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.716589 (E_RNA)
where:
Base-Base interactions energy: -172.442
where: short stacking energy: -83.955
Base-Backbone interact. energy: 0.075
local terms energy: -91.349828
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -258.897482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.897482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.897482 (E_RNA)
where:
Base-Base interactions energy: -165.418
where: short stacking energy: -79.555
Base-Backbone interact. energy: -0.391
local terms energy: -93.088217
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -263.480147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.480147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.480147 (E_RNA)
where:
Base-Base interactions energy: -170.384
where: short stacking energy: -77.327
Base-Backbone interact. energy: -0.414
local terms energy: -92.681837
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -120.731296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.731296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.731296 (E_RNA)
where:
Base-Base interactions energy: -47.850
where: short stacking energy: -37.591
Base-Backbone interact. energy: -0.854
local terms energy: -72.027226
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -12.321
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: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -133.205874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.205874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.205874 (E_RNA)
where:
Base-Base interactions energy: -63.264
where: short stacking energy: -47.342
Base-Backbone interact. energy: -0.450
local terms energy: -69.492402
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -9.283
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: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -104.933632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.933632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.933632 (E_RNA)
where:
Base-Base interactions energy: -38.810
where: short stacking energy: -27.747
Base-Backbone interact. energy: -0.516
local terms energy: -65.607913
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: 6.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -96.745592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.745592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.745592 (E_RNA)
where:
Base-Base interactions energy: -35.892
where: short stacking energy: -35.774
Base-Backbone interact. energy: -0.121
local terms energy: -60.732810
where:
bonds (distance) C4'-P energy: -8.295
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: 0.182
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)
out arg RESULTS//1/PROFESSOR-96bb216c_01
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -344.623082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.623082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.623082 (E_RNA)
where:
Base-Base interactions energy: -224.322
where: short stacking energy: -110.287
Base-Backbone interact. energy: -0.423
local terms energy: -119.877637
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -23.088
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -33.455
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: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -333.598098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.598098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.598098 (E_RNA)
where:
Base-Base interactions energy: -226.436
where: short stacking energy: -90.048
Base-Backbone interact. energy: -0.747
local terms energy: -106.414881
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -31.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -334.072191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.072191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.072191 (E_RNA)
where:
Base-Base interactions energy: -226.885
where: short stacking energy: -97.215
Base-Backbone interact. energy: -2.115
local terms energy: -105.072454
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -33.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -269.791133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.791133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.791133 (E_RNA)
where:
Base-Base interactions energy: -181.859
where: short stacking energy: -85.946
Base-Backbone interact. energy: 0.044
local terms energy: -87.976619
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -22.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -261.488407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.488407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.488407 (E_RNA)
where:
Base-Base interactions energy: -166.195
where: short stacking energy: -83.501
Base-Backbone interact. energy: -0.199
local terms energy: -95.093742
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -16.952
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: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -247.934648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.934648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.934648 (E_RNA)
where:
Base-Base interactions energy: -150.034
where: short stacking energy: -74.121
Base-Backbone interact. energy: -0.054
local terms energy: -97.846564
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -115.361575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.361575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.361575 (E_RNA)
where:
Base-Base interactions energy: -38.567
where: short stacking energy: -37.055
Base-Backbone interact. energy: -0.178
local terms energy: -76.616660
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -15.833
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: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -115.732844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.732844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.732844 (E_RNA)
where:
Base-Base interactions energy: -47.301
where: short stacking energy: -43.677
Base-Backbone interact. energy: -0.029
local terms energy: -68.402779
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -6.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -96.973279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.973279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.973279 (E_RNA)
where:
Base-Base interactions energy: -32.793
where: short stacking energy: -33.393
Base-Backbone interact. energy: -0.814
local terms energy: -63.366388
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -109.470756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.470756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.470756 (E_RNA)
where:
Base-Base interactions energy: -37.742
where: short stacking energy: -22.145
Base-Backbone interact. energy: 0.317
local terms energy: -72.045971
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -340.338887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.338887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.338887 (E_RNA)
where:
Base-Base interactions energy: -230.287
where: short stacking energy: -100.950
Base-Backbone interact. energy: 0.859
local terms energy: -110.911066
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -31.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -339.008793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.008793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.008793 (E_RNA)
where:
Base-Base interactions energy: -225.986
where: short stacking energy: -100.495
Base-Backbone interact. energy: -1.107
local terms energy: -111.915433
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -24.171
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -32.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -327.037807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.037807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.037807 (E_RNA)
where:
Base-Base interactions energy: -224.009
where: short stacking energy: -99.629
Base-Backbone interact. energy: -0.060
local terms energy: -102.968023
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -28.759
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: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -275.203396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.203396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.203396 (E_RNA)
where:
Base-Base interactions energy: -182.438
where: short stacking energy: -85.110
Base-Backbone interact. energy: -0.205
local terms energy: -92.560153
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -271.190925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.190925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.190925 (E_RNA)
where:
Base-Base interactions energy: -172.314
where: short stacking energy: -82.385
Base-Backbone interact. energy: -0.624
local terms energy: -98.253006
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -240.915145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.915145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.915145 (E_RNA)
where:
Base-Base interactions energy: -150.542
where: short stacking energy: -73.693
Base-Backbone interact. energy: -0.589
local terms energy: -89.783397
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -123.039427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.039427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.039427 (E_RNA)
where:
Base-Base interactions energy: -53.401
where: short stacking energy: -51.492
Base-Backbone interact. energy: -0.645
local terms energy: -68.994144
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -12.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -118.471744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.471744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.471744 (E_RNA)
where:
Base-Base interactions energy: -43.184
where: short stacking energy: -38.571
Base-Backbone interact. energy: 0.315
local terms energy: -75.602513
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -109.696558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.696558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.696558 (E_RNA)
where:
Base-Base interactions energy: -41.065
where: short stacking energy: -40.999
Base-Backbone interact. energy: 0.170
local terms energy: -68.801613
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -109.051143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.051143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.051143 (E_RNA)
where:
Base-Base interactions energy: -53.330
where: short stacking energy: -41.357
Base-Backbone interact. energy: -0.338
local terms energy: -55.383501
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -340.642882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.642882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.642882 (E_RNA)
where:
Base-Base interactions energy: -223.106
where: short stacking energy: -98.486
Base-Backbone interact. energy: -2.474
local terms energy: -115.062344
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -32.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -337.595199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.595199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.595199 (E_RNA)
where:
Base-Base interactions energy: -227.052
where: short stacking energy: -99.390
Base-Backbone interact. energy: -0.855
local terms energy: -109.688250
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -33.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -318.475205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.475205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.475205 (E_RNA)
where:
Base-Base interactions energy: -207.641
where: short stacking energy: -89.525
Base-Backbone interact. energy: -1.234
local terms energy: -109.599298
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -28.760
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: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -270.192867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.192867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.192867 (E_RNA)
where:
Base-Base interactions energy: -181.908
where: short stacking energy: -79.694
Base-Backbone interact. energy: -0.775
local terms energy: -87.510726
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -262.404498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.404498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.404498 (E_RNA)
where:
Base-Base interactions energy: -154.947
where: short stacking energy: -76.079
Base-Backbone interact. energy: -0.055
local terms energy: -107.402331
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -21.054
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -17.548
tors. eta vs tors. theta energy: -26.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -255.681081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.681081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.681081 (E_RNA)
where:
Base-Base interactions energy: -155.663
where: short stacking energy: -82.476
Base-Backbone interact. energy: 0.384
local terms energy: -100.401529
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -124.906076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.906076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.906076 (E_RNA)
where:
Base-Base interactions energy: -58.546
where: short stacking energy: -43.160
Base-Backbone interact. energy: -0.289
local terms energy: -66.071550
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -118.038922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.038922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.038922 (E_RNA)
where:
Base-Base interactions energy: -41.456
where: short stacking energy: -41.456
Base-Backbone interact. energy: -0.026
local terms energy: -76.556842
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -104.770576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.770576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.770576 (E_RNA)
where:
Base-Base interactions energy: -39.778
where: short stacking energy: -25.690
Base-Backbone interact. energy: 0.110
local terms energy: -65.103218
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -106.466081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.466081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.466081 (E_RNA)
where:
Base-Base interactions energy: -43.605
where: short stacking energy: -33.862
Base-Backbone interact. energy: 1.707
local terms energy: -64.568714
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -12.640
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: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -340.305139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.305139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.305139 (E_RNA)
where:
Base-Base interactions energy: -224.234
where: short stacking energy: -100.363
Base-Backbone interact. energy: -2.378
local terms energy: -113.693840
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -31.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -335.766808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.766808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.766808 (E_RNA)
where:
Base-Base interactions energy: -220.386
where: short stacking energy: -98.236
Base-Backbone interact. energy: -1.850
local terms energy: -113.531312
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -32.622
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: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -329.936371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.936371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.936371 (E_RNA)
where:
Base-Base interactions energy: -213.336
where: short stacking energy: -92.374
Base-Backbone interact. energy: -0.008
local terms energy: -116.592259
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -31.997
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: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -269.427919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.427919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.427919 (E_RNA)
where:
Base-Base interactions energy: -178.016
where: short stacking energy: -87.387
Base-Backbone interact. energy: -0.710
local terms energy: -90.702276
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -25.264
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: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -257.616078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.616078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.616078 (E_RNA)
where:
Base-Base interactions energy: -160.269
where: short stacking energy: -74.637
Base-Backbone interact. energy: -0.701
local terms energy: -96.646099
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -220.949899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.949899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.949899 (E_RNA)
where:
Base-Base interactions energy: -136.536
where: short stacking energy: -73.160
Base-Backbone interact. energy: -0.182
local terms energy: -84.231744
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -15.878
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: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -119.350037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.350037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.350037 (E_RNA)
where:
Base-Base interactions energy: -49.605
where: short stacking energy: -44.667
Base-Backbone interact. energy: -0.120
local terms energy: -69.624569
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -0.982
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: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -108.518898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.518898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.518898 (E_RNA)
where:
Base-Base interactions energy: -49.556
where: short stacking energy: -33.438
Base-Backbone interact. energy: -0.429
local terms energy: -58.533114
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: 0.802
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: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -111.560400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.560400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.560400 (E_RNA)
where:
Base-Base interactions energy: -50.695
where: short stacking energy: -41.438
Base-Backbone interact. energy: -0.622
local terms energy: -60.243413
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -95.677332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.677332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.677332 (E_RNA)
where:
Base-Base interactions energy: -41.373
where: short stacking energy: -36.124
Base-Backbone interact. energy: -0.479
local terms energy: -53.825760
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -10.726
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: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -342.503650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.503650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.503650 (E_RNA)
where:
Base-Base interactions energy: -231.244
where: short stacking energy: -92.718
Base-Backbone interact. energy: 0.218
local terms energy: -111.476880
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -30.694
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: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -340.338311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.338311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.338311 (E_RNA)
where:
Base-Base interactions energy: -227.757
where: short stacking energy: -99.715
Base-Backbone interact. energy: -2.002
local terms energy: -110.579355
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -31.566
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: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -326.698923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.698923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.698923 (E_RNA)
where:
Base-Base interactions energy: -221.530
where: short stacking energy: -88.961
Base-Backbone interact. energy: -1.410
local terms energy: -103.758516
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -28.490
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: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -267.610100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.610100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.610100 (E_RNA)
where:
Base-Base interactions energy: -168.933
where: short stacking energy: -83.710
Base-Backbone interact. energy: -0.601
local terms energy: -98.076435
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -25.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -260.139165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.139165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.139165 (E_RNA)
where:
Base-Base interactions energy: -160.991
where: short stacking energy: -77.517
Base-Backbone interact. energy: -1.699
local terms energy: -97.449513
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -246.491005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.491005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.491005 (E_RNA)
where:
Base-Base interactions energy: -154.262
where: short stacking energy: -71.141
Base-Backbone interact. energy: -0.639
local terms energy: -91.589824
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -134.877445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.877445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.877445 (E_RNA)
where:
Base-Base interactions energy: -54.402
where: short stacking energy: -28.470
Base-Backbone interact. energy: -0.159
local terms energy: -80.316441
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -120.973582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.973582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.973582 (E_RNA)
where:
Base-Base interactions energy: -45.660
where: short stacking energy: -36.642
Base-Backbone interact. energy: -0.161
local terms energy: -75.152987
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -8.619
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: 9, replica: 2
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -110.653040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.653040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.653040 (E_RNA)
where:
Base-Base interactions energy: -47.010
where: short stacking energy: -41.690
Base-Backbone interact. energy: -0.479
local terms energy: -63.164167
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -11.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -93.269066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.269066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.269066 (E_RNA)
where:
Base-Base interactions energy: -36.314
where: short stacking energy: -33.367
Base-Backbone interact. energy: 0.387
local terms energy: -57.341856
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: 1.090
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: 53
Temperature: 0.900000
Total energy: -347.325983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.325983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.325983 (E_RNA)
where:
Base-Base interactions energy: -235.079
where: short stacking energy: -102.494
Base-Backbone interact. energy: -1.250
local terms energy: -110.996548
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -28.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -345.880137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.880137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.880137 (E_RNA)
where:
Base-Base interactions energy: -232.120
where: short stacking energy: -104.765
Base-Backbone interact. energy: -0.977
local terms energy: -112.782832
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -33.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -321.552308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.552308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.552308 (E_RNA)
where:
Base-Base interactions energy: -212.545
where: short stacking energy: -85.169
Base-Backbone interact. energy: -0.089
local terms energy: -108.918127
where:
bonds (distance) C4'-P energy: -23.847
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -29.254
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: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -272.303282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.303282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.303282 (E_RNA)
where:
Base-Base interactions energy: -176.971
where: short stacking energy: -92.960
Base-Backbone interact. energy: -0.361
local terms energy: -94.971588
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -264.200809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.200809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.200809 (E_RNA)
where:
Base-Base interactions energy: -172.408
where: short stacking energy: -86.875
Base-Backbone interact. energy: -0.773
local terms energy: -91.020515
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -22.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -232.252238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.252238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.252238 (E_RNA)
where:
Base-Base interactions energy: -145.300
where: short stacking energy: -75.406
Base-Backbone interact. energy: -0.099
local terms energy: -86.853383
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -143.146668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.146668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.146668 (E_RNA)
where:
Base-Base interactions energy: -60.366
where: short stacking energy: -52.479
Base-Backbone interact. energy: -0.257
local terms energy: -82.523497
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -112.719432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.719432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.719432 (E_RNA)
where:
Base-Base interactions energy: -45.587
where: short stacking energy: -41.762
Base-Backbone interact. energy: -0.049
local terms energy: -67.082803
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -114.917274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.917274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.917274 (E_RNA)
where:
Base-Base interactions energy: -43.562
where: short stacking energy: -42.709
Base-Backbone interact. energy: -1.957
local terms energy: -69.398635
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -104.898778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.898778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.898778 (E_RNA)
where:
Base-Base interactions energy: -32.698
where: short stacking energy: -31.556
Base-Backbone interact. energy: -0.774
local terms energy: -71.425987
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -7.238
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: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -343.941824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.941824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.941824 (E_RNA)
where:
Base-Base interactions energy: -229.660
where: short stacking energy: -108.244
Base-Backbone interact. energy: -0.015
local terms energy: -114.267439
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -23.808
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -32.039
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: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -339.183490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.183490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.183490 (E_RNA)
where:
Base-Base interactions energy: -229.958
where: short stacking energy: -99.860
Base-Backbone interact. energy: -0.152
local terms energy: -109.073443
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -29.304
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: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -325.495616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.495616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.495616 (E_RNA)
where:
Base-Base interactions energy: -221.256
where: short stacking energy: -91.039
Base-Backbone interact. energy: -0.014
local terms energy: -104.226017
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -32.061
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: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -273.421229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.421229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.421229 (E_RNA)
where:
Base-Base interactions energy: -172.955
where: short stacking energy: -86.101
Base-Backbone interact. energy: -0.046
local terms energy: -100.420086
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -28.747
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: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -274.990985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.990985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.990985 (E_RNA)
where:
Base-Base interactions energy: -175.493
where: short stacking energy: -83.372
Base-Backbone interact. energy: -0.056
local terms energy: -99.442073
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -19.344
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: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -246.991198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.991198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.991198 (E_RNA)
where:
Base-Base interactions energy: -149.664
where: short stacking energy: -79.491
Base-Backbone interact. energy: -0.061
local terms energy: -97.266768
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -24.784
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -138.304299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.304299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.304299 (E_RNA)
where:
Base-Base interactions energy: -69.919
where: short stacking energy: -51.620
Base-Backbone interact. energy: -0.431
local terms energy: -67.953321
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -123.666534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.666534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.666534 (E_RNA)
where:
Base-Base interactions energy: -52.911
where: short stacking energy: -39.018
Base-Backbone interact. energy: 0.669
local terms energy: -71.424411
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -14.794
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: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -113.715374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.715374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.715374 (E_RNA)
where:
Base-Base interactions energy: -41.386
where: short stacking energy: -28.954
Base-Backbone interact. energy: -0.184
local terms energy: -72.145664
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -93.713803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.713803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.713803 (E_RNA)
where:
Base-Base interactions energy: -28.473
where: short stacking energy: -19.595
Base-Backbone interact. energy: -0.278
local terms energy: -64.963328
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -351.063888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.063888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.063888 (E_RNA)
where:
Base-Base interactions energy: -233.480
where: short stacking energy: -110.829
Base-Backbone interact. energy: -0.158
local terms energy: -117.426350
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -34.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -332.658281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.658281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.658281 (E_RNA)
where:
Base-Base interactions energy: -222.111
where: short stacking energy: -91.562
Base-Backbone interact. energy: -1.094
local terms energy: -109.453066
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -27.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -329.977993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.977993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.977993 (E_RNA)
where:
Base-Base interactions energy: -225.644
where: short stacking energy: -87.553
Base-Backbone interact. energy: -0.394
local terms energy: -103.940297
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -28.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -258.080094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.080094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.080094 (E_RNA)
where:
Base-Base interactions energy: -164.453
where: short stacking energy: -73.711
Base-Backbone interact. energy: -0.946
local terms energy: -92.680272
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -267.535489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.535489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.535489 (E_RNA)
where:
Base-Base interactions energy: -165.681
where: short stacking energy: -77.829
Base-Backbone interact. energy: 0.136
local terms energy: -101.989746
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -245.824097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.824097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.824097 (E_RNA)
where:
Base-Base interactions energy: -159.893
where: short stacking energy: -84.363
Base-Backbone interact. energy: -0.694
local terms energy: -85.237775
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -19.137
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: 55
Temperature: 1.200000
Total energy: -136.614589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.614589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.614589 (E_RNA)
where:
Base-Base interactions energy: -61.771
where: short stacking energy: -43.092
Base-Backbone interact. energy: -0.949
local terms energy: -73.894502
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -23.894
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -5.091
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: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -132.084156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.084156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.084156 (E_RNA)
where:
Base-Base interactions energy: -63.503
where: short stacking energy: -35.575
Base-Backbone interact. energy: -0.312
local terms energy: -68.268450
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -110.996681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.996681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.996681 (E_RNA)
where:
Base-Base interactions energy: -40.189
where: short stacking energy: -27.016
Base-Backbone interact. energy: -0.611
local terms energy: -70.197341
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -15.231
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: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -98.003362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.003362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.003362 (E_RNA)
where:
Base-Base interactions energy: -37.224
where: short stacking energy: -37.224
Base-Backbone interact. energy: -0.766
local terms energy: -60.012645
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -335.900444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.900444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.900444 (E_RNA)
where:
Base-Base interactions energy: -217.466
where: short stacking energy: -93.612
Base-Backbone interact. energy: -0.162
local terms energy: -118.273012
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -32.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -347.138201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.138201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.138201 (E_RNA)
where:
Base-Base interactions energy: -234.643
where: short stacking energy: -95.953
Base-Backbone interact. energy: -1.582
local terms energy: -110.913034
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -30.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -318.816609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.816609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.816609 (E_RNA)
where:
Base-Base interactions energy: -213.416
where: short stacking energy: -85.502
Base-Backbone interact. energy: -0.458
local terms energy: -104.941944
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -29.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -265.132616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.132616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.132616 (E_RNA)
where:
Base-Base interactions energy: -176.492
where: short stacking energy: -93.197
Base-Backbone interact. energy: -0.059
local terms energy: -88.582028
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -11.490
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: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -271.780068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.780068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.780068 (E_RNA)
where:
Base-Base interactions energy: -173.287
where: short stacking energy: -85.804
Base-Backbone interact. energy: -0.354
local terms energy: -98.138703
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -25.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -246.511310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.511310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.511310 (E_RNA)
where:
Base-Base interactions energy: -149.567
where: short stacking energy: -68.460
Base-Backbone interact. energy: -0.032
local terms energy: -96.912037
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -23.187
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: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -137.246297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.246297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.246297 (E_RNA)
where:
Base-Base interactions energy: -57.790
where: short stacking energy: -47.402
Base-Backbone interact. energy: -0.182
local terms energy: -79.273955
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -6.913
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: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -177.976473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.976473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.976473 (E_RNA)
where:
Base-Base interactions energy: -89.246
where: short stacking energy: -55.373
Base-Backbone interact. energy: 0.017
local terms energy: -88.747572
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -14.603
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: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -121.986437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.986437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.986437 (E_RNA)
where:
Base-Base interactions energy: -54.125
where: short stacking energy: -45.744
Base-Backbone interact. energy: -0.161
local terms energy: -67.700627
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -9.727
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: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -103.455052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.455052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.455052 (E_RNA)
where:
Base-Base interactions energy: -38.877
where: short stacking energy: -30.124
Base-Backbone interact. energy: -0.180
local terms energy: -64.397726
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -8.925
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: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -342.552145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.552145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.552145 (E_RNA)
where:
Base-Base interactions energy: -225.802
where: short stacking energy: -95.038
Base-Backbone interact. energy: -0.569
local terms energy: -116.181937
where:
bonds (distance) C4'-P energy: -23.791
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -29.595
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: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -343.159059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.159059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.159059 (E_RNA)
where:
Base-Base interactions energy: -230.556
where: short stacking energy: -94.341
Base-Backbone interact. energy: -0.330
local terms energy: -112.272873
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -31.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -320.643013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.643013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.643013 (E_RNA)
where:
Base-Base interactions energy: -215.194
where: short stacking energy: -86.276
Base-Backbone interact. energy: -0.576
local terms energy: -104.873091
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -28.165
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: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -288.173260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.173260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.173260 (E_RNA)
where:
Base-Base interactions energy: -187.212
where: short stacking energy: -92.060
Base-Backbone interact. energy: -0.337
local terms energy: -100.623753
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -25.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -280.366784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.366784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.366784 (E_RNA)
where:
Base-Base interactions energy: -184.447
where: short stacking energy: -84.796
Base-Backbone interact. energy: -0.530
local terms energy: -95.389292
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -21.349
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: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -245.613270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.613270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.613270 (E_RNA)
where:
Base-Base interactions energy: -149.000
where: short stacking energy: -73.832
Base-Backbone interact. energy: -0.799
local terms energy: -95.814695
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -123.611994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.611994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.611994 (E_RNA)
where:
Base-Base interactions energy: -48.157
where: short stacking energy: -39.509
Base-Backbone interact. energy: 1.055
local terms energy: -76.509421
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -125.814976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.814976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.814976 (E_RNA)
where:
Base-Base interactions energy: -54.856
where: short stacking energy: -48.124
Base-Backbone interact. energy: 0.041
local terms energy: -70.999738
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -162.692022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.692022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.692022 (E_RNA)
where:
Base-Base interactions energy: -87.566
where: short stacking energy: -55.887
Base-Backbone interact. energy: -0.123
local terms energy: -75.002774
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -121.615665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.615665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.615665 (E_RNA)
where:
Base-Base interactions energy: -70.353
where: short stacking energy: -39.545
Base-Backbone interact. energy: -1.118
local terms energy: -50.144788
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -0.744
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -354.981720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.981720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.981720 (E_RNA)
where:
Base-Base interactions energy: -240.752
where: short stacking energy: -100.242
Base-Backbone interact. energy: -1.975
local terms energy: -112.254609
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -32.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -333.305094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.305094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.305094 (E_RNA)
where:
Base-Base interactions energy: -225.902
where: short stacking energy: -91.999
Base-Backbone interact. energy: -1.876
local terms energy: -105.527015
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -29.645
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: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -276.512328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.512328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.512328 (E_RNA)
where:
Base-Base interactions energy: -172.203
where: short stacking energy: -89.205
Base-Backbone interact. energy: -0.122
local terms energy: -104.188260
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -24.280
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: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -306.350952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.350952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.350952 (E_RNA)
where:
Base-Base interactions energy: -205.491
where: short stacking energy: -85.028
Base-Backbone interact. energy: -0.886
local terms energy: -99.973730
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -31.676
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: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -249.093009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.093009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.093009 (E_RNA)
where:
Base-Base interactions energy: -156.103
where: short stacking energy: -70.444
Base-Backbone interact. energy: -0.542
local terms energy: -92.447838
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -13.713
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: 58
Temperature: 1.150000
Total energy: -255.610946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.610946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.610946 (E_RNA)
where:
Base-Base interactions energy: -162.794
where: short stacking energy: -79.462
Base-Backbone interact. energy: 0.195
local terms energy: -93.012597
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -112.655766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.655766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.655766 (E_RNA)
where:
Base-Base interactions energy: -46.662
where: short stacking energy: -45.574
Base-Backbone interact. energy: 0.085
local terms energy: -66.077982
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -112.765155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.765155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.765155 (E_RNA)
where:
Base-Base interactions energy: -46.141
where: short stacking energy: -41.449
Base-Backbone interact. energy: -0.532
local terms energy: -66.091461
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -10.166
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: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -103.159419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.159419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.159419 (E_RNA)
where:
Base-Base interactions energy: -38.796
where: short stacking energy: -32.926
Base-Backbone interact. energy: -0.438
local terms energy: -63.926052
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -4.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -95.815315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.815315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.815315 (E_RNA)
where:
Base-Base interactions energy: -31.080
where: short stacking energy: -28.996
Base-Backbone interact. energy: 0.673
local terms energy: -65.408001
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: 0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -337.864932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.864932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.864932 (E_RNA)
where:
Base-Base interactions energy: -234.378
where: short stacking energy: -97.839
Base-Backbone interact. energy: -1.239
local terms energy: -102.248540
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -31.631
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: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -335.883269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.883269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.883269 (E_RNA)
where:
Base-Base interactions energy: -226.670
where: short stacking energy: -93.752
Base-Backbone interact. energy: -0.490
local terms energy: -108.723364
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -26.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -293.838373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.838373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.838373 (E_RNA)
where:
Base-Base interactions energy: -189.131
where: short stacking energy: -94.298
Base-Backbone interact. energy: -0.035
local terms energy: -104.672591
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -24.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -281.271006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.271006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.271006 (E_RNA)
where:
Base-Base interactions energy: -193.306
where: short stacking energy: -83.413
Base-Backbone interact. energy: -0.005
local terms energy: -87.960605
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -27.264
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: 5, replica: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -254.064988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.064988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.064988 (E_RNA)
where:
Base-Base interactions energy: -155.673
where: short stacking energy: -74.341
Base-Backbone interact. energy: -0.096
local terms energy: -98.296899
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -20.746
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: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -252.871782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.871782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.871782 (E_RNA)
where:
Base-Base interactions energy: -168.972
where: short stacking energy: -73.923
Base-Backbone interact. energy: -1.088
local terms energy: -82.812744
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -129.995439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.995439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.995439 (E_RNA)
where:
Base-Base interactions energy: -56.590
where: short stacking energy: -56.690
Base-Backbone interact. energy: -0.224
local terms energy: -73.181288
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -13.067
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: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -133.577271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.577271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.577271 (E_RNA)
where:
Base-Base interactions energy: -49.933
where: short stacking energy: -49.933
Base-Backbone interact. energy: 0.083
local terms energy: -83.726818
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -103.329995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.329995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.329995 (E_RNA)
where:
Base-Base interactions energy: -34.328
where: short stacking energy: -21.790
Base-Backbone interact. energy: -0.298
local terms energy: -68.704393
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: 0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -97.567052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.567052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.567052 (E_RNA)
where:
Base-Base interactions energy: -29.150
where: short stacking energy: -29.150
Base-Backbone interact. energy: -0.370
local terms energy: -68.047441
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -0.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -339.677852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.677852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.677852 (E_RNA)
where:
Base-Base interactions energy: -225.554
where: short stacking energy: -104.459
Base-Backbone interact. energy: -0.428
local terms energy: -113.695684
where:
bonds (distance) C4'-P energy: -23.127
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -29.862
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: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -338.916272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.916272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.916272 (E_RNA)
where:
Base-Base interactions energy: -231.346
where: short stacking energy: -104.060
Base-Backbone interact. energy: -0.868
local terms energy: -106.701488
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -33.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -294.839062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.839062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.839062 (E_RNA)
where:
Base-Base interactions energy: -192.856
where: short stacking energy: -92.939
Base-Backbone interact. energy: 0.122
local terms energy: -102.105842
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -27.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -277.105983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.105983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.105983 (E_RNA)
where:
Base-Base interactions energy: -185.939
where: short stacking energy: -89.907
Base-Backbone interact. energy: -1.719
local terms energy: -89.447900
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -24.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -278.073207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.073207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.073207 (E_RNA)
where:
Base-Base interactions energy: -173.091
where: short stacking energy: -87.526
Base-Backbone interact. energy: -0.181
local terms energy: -104.800775
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -25.242
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: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -252.960216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.960216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.960216 (E_RNA)
where:
Base-Base interactions energy: -171.524
where: short stacking energy: -71.285
Base-Backbone interact. energy: 1.093
local terms energy: -82.529334
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -124.394294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.394294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.394294 (E_RNA)
where:
Base-Base interactions energy: -51.650
where: short stacking energy: -48.315
Base-Backbone interact. energy: -0.104
local terms energy: -72.639481
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -109.287233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.287233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.287233 (E_RNA)
where:
Base-Base interactions energy: -45.704
where: short stacking energy: -34.820
Base-Backbone interact. energy: -0.280
local terms energy: -63.303579
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -7.429
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: 60
Temperature: 1.300000
Total energy: -123.749881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.749881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.749881 (E_RNA)
where:
Base-Base interactions energy: -61.423
where: short stacking energy: -57.931
Base-Backbone interact. energy: -0.229
local terms energy: -62.097745
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: 3.306
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: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -92.578479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.578479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.578479 (E_RNA)
where:
Base-Base interactions energy: -32.392
where: short stacking energy: -28.521
Base-Backbone interact. energy: -0.237
local terms energy: -59.949013
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: 3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -334.419881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.419881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.419881 (E_RNA)
where:
Base-Base interactions energy: -224.741
where: short stacking energy: -96.802
Base-Backbone interact. energy: -0.557
local terms energy: -109.122185
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -30.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -335.870112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.870112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.870112 (E_RNA)
where:
Base-Base interactions energy: -223.635
where: short stacking energy: -89.584
Base-Backbone interact. energy: -2.888
local terms energy: -109.347464
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -32.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -298.023878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.023878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.023878 (E_RNA)
where:
Base-Base interactions energy: -191.710
where: short stacking energy: -93.699
Base-Backbone interact. energy: -0.132
local terms energy: -106.181337
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -29.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -284.201734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.201734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.201734 (E_RNA)
where:
Base-Base interactions energy: -181.556
where: short stacking energy: -78.040
Base-Backbone interact. energy: -0.318
local terms energy: -102.327632
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -271.407021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.407021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.407021 (E_RNA)
where:
Base-Base interactions energy: -169.082
where: short stacking energy: -81.223
Base-Backbone interact. energy: -0.108
local terms energy: -102.217091
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -25.175
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: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -249.405964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.405964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.405964 (E_RNA)
where:
Base-Base interactions energy: -158.708
where: short stacking energy: -82.978
Base-Backbone interact. energy: -1.190
local terms energy: -89.507725
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -123.566868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.566868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.566868 (E_RNA)
where:
Base-Base interactions energy: -53.642
where: short stacking energy: -35.825
Base-Backbone interact. energy: 2.959
local terms energy: -72.883357
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -126.246588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.246588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.246588 (E_RNA)
where:
Base-Base interactions energy: -50.973
where: short stacking energy: -50.973
Base-Backbone interact. energy: -0.110
local terms energy: -75.163680
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -104.885674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.885674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.885674 (E_RNA)
where:
Base-Base interactions energy: -41.726
where: short stacking energy: -32.992
Base-Backbone interact. energy: -0.537
local terms energy: -62.622748
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -106.230174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.230174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.230174 (E_RNA)
where:
Base-Base interactions energy: -45.298
where: short stacking energy: -36.460
Base-Backbone interact. energy: -1.347
local terms energy: -59.585479
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -340.622750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.622750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.622750 (E_RNA)
where:
Base-Base interactions energy: -235.629
where: short stacking energy: -103.024
Base-Backbone interact. energy: -0.392
local terms energy: -104.601464
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -31.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -335.058828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.058828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.058828 (E_RNA)
where:
Base-Base interactions energy: -223.885
where: short stacking energy: -98.110
Base-Backbone interact. energy: -0.810
local terms energy: -110.363683
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -29.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -286.177676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.177676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.177676 (E_RNA)
where:
Base-Base interactions energy: -187.947
where: short stacking energy: -87.964
Base-Backbone interact. energy: -0.106
local terms energy: -98.124626
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: -21.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -291.033516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.033516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.033516 (E_RNA)
where:
Base-Base interactions energy: -188.747
where: short stacking energy: -95.018
Base-Backbone interact. energy: -0.035
local terms energy: -102.251667
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -22.249
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: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -263.096764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.096764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.096764 (E_RNA)
where:
Base-Base interactions energy: -168.739
where: short stacking energy: -85.588
Base-Backbone interact. energy: -1.012
local terms energy: -93.345258
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -22.706
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: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -256.035825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.035825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.035825 (E_RNA)
where:
Base-Base interactions energy: -165.218
where: short stacking energy: -81.817
Base-Backbone interact. energy: -0.016
local terms energy: -90.800997
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -22.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -143.104103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.104103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.104103 (E_RNA)
where:
Base-Base interactions energy: -75.270
where: short stacking energy: -39.395
Base-Backbone interact. energy: -0.406
local terms energy: -67.428571
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -22.171
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -137.623645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.623645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.623645 (E_RNA)
where:
Base-Base interactions energy: -56.991
where: short stacking energy: -48.696
Base-Backbone interact. energy: -0.316
local terms energy: -80.316411
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -10.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -99.446506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.446506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.446506 (E_RNA)
where:
Base-Base interactions energy: -34.911
where: short stacking energy: -31.581
Base-Backbone interact. energy: -0.241
local terms energy: -64.294432
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: 1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -101.308069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.308069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.308069 (E_RNA)
where:
Base-Base interactions energy: -41.159
where: short stacking energy: -31.806
Base-Backbone interact. energy: 0.693
local terms energy: -60.842820
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: 3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -348.449285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.449285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.449285 (E_RNA)
where:
Base-Base interactions energy: -239.411
where: short stacking energy: -99.656
Base-Backbone interact. energy: -1.701
local terms energy: -107.336625
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -28.068
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: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -349.022393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.022393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.022393 (E_RNA)
where:
Base-Base interactions energy: -237.824
where: short stacking energy: -106.138
Base-Backbone interact. energy: 0.196
local terms energy: -111.393509
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -33.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -297.640652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.640652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.640652 (E_RNA)
where:
Base-Base interactions energy: -196.077
where: short stacking energy: -91.355
Base-Backbone interact. energy: -0.223
local terms energy: -101.341307
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -24.518
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: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -276.359253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.359253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.359253 (E_RNA)
where:
Base-Base interactions energy: -185.401
where: short stacking energy: -90.360
Base-Backbone interact. energy: -0.535
local terms energy: -90.423519
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: -23.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -257.890693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.890693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.890693 (E_RNA)
where:
Base-Base interactions energy: -156.243
where: short stacking energy: -73.382
Base-Backbone interact. energy: -0.693
local terms energy: -100.954786
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -20.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -249.282441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.282441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.282441 (E_RNA)
where:
Base-Base interactions energy: -160.973
where: short stacking energy: -81.636
Base-Backbone interact. energy: -0.666
local terms energy: -87.643828
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -142.077744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.077744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.077744 (E_RNA)
where:
Base-Base interactions energy: -59.884
where: short stacking energy: -43.204
Base-Backbone interact. energy: -0.427
local terms energy: -81.766665
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -13.729
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: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -108.942812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.942812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.942812 (E_RNA)
where:
Base-Base interactions energy: -27.344
where: short stacking energy: -24.503
Base-Backbone interact. energy: -0.265
local terms energy: -81.333853
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -112.167000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.167000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.167000 (E_RNA)
where:
Base-Base interactions energy: -38.411
where: short stacking energy: -34.493
Base-Backbone interact. energy: -0.754
local terms energy: -73.002347
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -13.605
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: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -115.050100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.050100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.050100 (E_RNA)
where:
Base-Base interactions energy: -44.135
where: short stacking energy: -38.979
Base-Backbone interact. energy: 1.742
local terms energy: -72.657261
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -349.110948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.110948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.110948 (E_RNA)
where:
Base-Base interactions energy: -230.102
where: short stacking energy: -97.527
Base-Backbone interact. energy: -2.151
local terms energy: -116.858677
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -33.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -335.569062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.569062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.569062 (E_RNA)
where:
Base-Base interactions energy: -224.218
where: short stacking energy: -97.513
Base-Backbone interact. energy: -0.065
local terms energy: -111.285642
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -27.894
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: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -304.467965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.467965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.467965 (E_RNA)
where:
Base-Base interactions energy: -198.337
where: short stacking energy: -91.069
Base-Backbone interact. energy: -0.019
local terms energy: -106.112431
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -25.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -265.984121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.984121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.984121 (E_RNA)
where:
Base-Base interactions energy: -166.670
where: short stacking energy: -81.734
Base-Backbone interact. energy: -0.052
local terms energy: -99.262059
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -268.607948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.607948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.607948 (E_RNA)
where:
Base-Base interactions energy: -169.687
where: short stacking energy: -77.637
Base-Backbone interact. energy: -0.514
local terms energy: -98.406437
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -25.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -262.719168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.719168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.719168 (E_RNA)
where:
Base-Base interactions energy: -165.175
where: short stacking energy: -71.886
Base-Backbone interact. energy: -0.090
local terms energy: -97.454078
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -25.627
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -128.320902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.320902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.320902 (E_RNA)
where:
Base-Base interactions energy: -65.834
where: short stacking energy: -50.288
Base-Backbone interact. energy: -0.286
local terms energy: -62.200799
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -112.252663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.252663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.252663 (E_RNA)
where:
Base-Base interactions energy: -39.643
where: short stacking energy: -38.067
Base-Backbone interact. energy: -0.336
local terms energy: -72.274073
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -125.641978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.641978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.641978 (E_RNA)
where:
Base-Base interactions energy: -57.512
where: short stacking energy: -54.508
Base-Backbone interact. energy: 1.647
local terms energy: -69.777127
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -13.056
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: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -104.828532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.828532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.828532 (E_RNA)
where:
Base-Base interactions energy: -43.177
where: short stacking energy: -42.169
Base-Backbone interact. energy: -0.423
local terms energy: -61.228084
where:
bonds (distance) C4'-P energy: -8.814
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -2.893
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -345.120195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.120195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.120195 (E_RNA)
where:
Base-Base interactions energy: -232.612
where: short stacking energy: -97.387
Base-Backbone interact. energy: -0.821
local terms energy: -111.686870
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -32.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -346.395671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.395671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.395671 (E_RNA)
where:
Base-Base interactions energy: -231.971
where: short stacking energy: -106.180
Base-Backbone interact. energy: -0.451
local terms energy: -113.973784
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -34.100
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: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -293.549135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.549135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.549135 (E_RNA)
where:
Base-Base interactions energy: -185.096
where: short stacking energy: -85.802
Base-Backbone interact. energy: -0.932
local terms energy: -107.521625
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -23.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -259.180224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.180224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.180224 (E_RNA)
where:
Base-Base interactions energy: -162.453
where: short stacking energy: -78.077
Base-Backbone interact. energy: -0.453
local terms energy: -96.273895
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -265.911246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.911246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.911246 (E_RNA)
where:
Base-Base interactions energy: -167.878
where: short stacking energy: -81.805
Base-Backbone interact. energy: -0.248
local terms energy: -97.785500
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -26.275
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: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -258.930331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.930331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.930331 (E_RNA)
where:
Base-Base interactions energy: -160.449
where: short stacking energy: -79.946
Base-Backbone interact. energy: -1.184
local terms energy: -97.297384
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -131.590488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.590488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.590488 (E_RNA)
where:
Base-Base interactions energy: -52.799
where: short stacking energy: -52.799
Base-Backbone interact. energy: -0.122
local terms energy: -78.669674
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -7.429
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: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -124.111905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.111905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.111905 (E_RNA)
where:
Base-Base interactions energy: -52.024
where: short stacking energy: -49.550
Base-Backbone interact. energy: 0.254
local terms energy: -72.341648
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -105.220821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.220821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.220821 (E_RNA)
where:
Base-Base interactions energy: -35.516
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.959
local terms energy: -68.745318
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -112.334939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.334939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.334939 (E_RNA)
where:
Base-Base interactions energy: -37.339
where: short stacking energy: -34.547
Base-Backbone interact. energy: -1.842
local terms energy: -73.153894
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -22.090
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -12.891
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: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -340.206887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.206887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.206887 (E_RNA)
where:
Base-Base interactions energy: -230.396
where: short stacking energy: -92.308
Base-Backbone interact. energy: -1.532
local terms energy: -108.279072
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -30.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -335.303542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.303542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.303542 (E_RNA)
where:
Base-Base interactions energy: -227.633
where: short stacking energy: -100.608
Base-Backbone interact. energy: -0.150
local terms energy: -107.520374
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -31.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -297.904160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.904160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.904160 (E_RNA)
where:
Base-Base interactions energy: -199.875
where: short stacking energy: -97.556
Base-Backbone interact. energy: -0.001
local terms energy: -98.027767
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -25.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -279.992218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.992218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.992218 (E_RNA)
where:
Base-Base interactions energy: -177.287
where: short stacking energy: -96.521
Base-Backbone interact. energy: 0.741
local terms energy: -103.446217
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -23.595
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: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -269.255236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.255236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.255236 (E_RNA)
where:
Base-Base interactions energy: -168.145
where: short stacking energy: -81.466
Base-Backbone interact. energy: -0.008
local terms energy: -101.101713
where:
bonds (distance) C4'-P energy: -23.710
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -21.350
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: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -273.744275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.744275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.744275 (E_RNA)
where:
Base-Base interactions energy: -169.268
where: short stacking energy: -90.191
Base-Backbone interact. energy: 0.212
local terms energy: -104.687959
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: -25.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -138.517512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.517512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.517512 (E_RNA)
where:
Base-Base interactions energy: -69.475
where: short stacking energy: -38.301
Base-Backbone interact. energy: -0.473
local terms energy: -68.568784
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -142.833014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.833014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.833014 (E_RNA)
where:
Base-Base interactions energy: -76.402
where: short stacking energy: -46.272
Base-Backbone interact. energy: -1.251
local terms energy: -65.179654
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -119.550475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.550475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.550475 (E_RNA)
where:
Base-Base interactions energy: -58.351
where: short stacking energy: -51.013
Base-Backbone interact. energy: 0.331
local terms energy: -61.530332
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -102.767654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.767654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.767654 (E_RNA)
where:
Base-Base interactions energy: -36.687
where: short stacking energy: -31.682
Base-Backbone interact. energy: 0.040
local terms energy: -66.120663
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -10.265
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: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -333.282192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.282192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.282192 (E_RNA)
where:
Base-Base interactions energy: -226.660
where: short stacking energy: -99.303
Base-Backbone interact. energy: -0.874
local terms energy: -105.747648
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -27.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -334.649485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.649485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.649485 (E_RNA)
where:
Base-Base interactions energy: -230.808
where: short stacking energy: -104.780
Base-Backbone interact. energy: -0.247
local terms energy: -103.595203
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -22.383
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -30.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -292.463574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.463574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.463574 (E_RNA)
where:
Base-Base interactions energy: -188.892
where: short stacking energy: -75.711
Base-Backbone interact. energy: 1.316
local terms energy: -104.887427
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -22.565
flat angles C4'-P-C4' energy: -23.778
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -25.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -266.819555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.819555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.819555 (E_RNA)
where:
Base-Base interactions energy: -171.089
where: short stacking energy: -79.328
Base-Backbone interact. energy: -0.069
local terms energy: -95.661573
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -280.414493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.414493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.414493 (E_RNA)
where:
Base-Base interactions energy: -180.341
where: short stacking energy: -89.678
Base-Backbone interact. energy: -0.840
local terms energy: -99.232836
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -26.442
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: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -256.639436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.639436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.639436 (E_RNA)
where:
Base-Base interactions energy: -163.449
where: short stacking energy: -82.809
Base-Backbone interact. energy: -0.563
local terms energy: -92.627805
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -24.456
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: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -126.590844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.590844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.590844 (E_RNA)
where:
Base-Base interactions energy: -61.983
where: short stacking energy: -46.021
Base-Backbone interact. energy: 3.301
local terms energy: -67.908084
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -20.808
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -111.857822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.857822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.857822 (E_RNA)
where:
Base-Base interactions energy: -59.449
where: short stacking energy: -52.529
Base-Backbone interact. energy: -0.239
local terms energy: -52.169598
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -8.847
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -114.059386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.059386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.059386 (E_RNA)
where:
Base-Base interactions energy: -55.602
where: short stacking energy: -31.451
Base-Backbone interact. energy: 0.014
local terms energy: -58.471339
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: 2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -102.274147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.274147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.274147 (E_RNA)
where:
Base-Base interactions energy: -35.551
where: short stacking energy: -35.398
Base-Backbone interact. energy: -0.163
local terms energy: -66.559300
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -3.081
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: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -350.623743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.623743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.623743 (E_RNA)
where:
Base-Base interactions energy: -239.025
where: short stacking energy: -104.396
Base-Backbone interact. energy: -0.993
local terms energy: -110.606322
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -35.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -339.249196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.249196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.249196 (E_RNA)
where:
Base-Base interactions energy: -224.551
where: short stacking energy: -96.106
Base-Backbone interact. energy: -0.117
local terms energy: -114.581495
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -30.497
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: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -298.601174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.601174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.601174 (E_RNA)
where:
Base-Base interactions energy: -195.619
where: short stacking energy: -97.547
Base-Backbone interact. energy: -0.014
local terms energy: -102.968377
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -25.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -279.302650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.302650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.302650 (E_RNA)
where:
Base-Base interactions energy: -171.409
where: short stacking energy: -88.845
Base-Backbone interact. energy: -0.004
local terms energy: -107.890201
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -27.481
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: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -262.341447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.341447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.341447 (E_RNA)
where:
Base-Base interactions energy: -168.311
where: short stacking energy: -73.632
Base-Backbone interact. energy: 0.808
local terms energy: -94.838962
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -247.278518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.278518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.278518 (E_RNA)
where:
Base-Base interactions energy: -156.092
where: short stacking energy: -76.083
Base-Backbone interact. energy: -0.653
local terms energy: -90.534197
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -19.924
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: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -115.559050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.559050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.559050 (E_RNA)
where:
Base-Base interactions energy: -42.273
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.629
local terms energy: -72.657181
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -118.698124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.698124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.698124 (E_RNA)
where:
Base-Base interactions energy: -52.337
where: short stacking energy: -35.110
Base-Backbone interact. energy: -0.218
local terms energy: -66.143181
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -104.172955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.172955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.172955 (E_RNA)
where:
Base-Base interactions energy: -40.142
where: short stacking energy: -35.616
Base-Backbone interact. energy: -0.251
local terms energy: -63.780362
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -10.670
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: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -88.494036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.494036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.494036 (E_RNA)
where:
Base-Base interactions energy: -33.843
where: short stacking energy: -32.402
Base-Backbone interact. energy: -0.540
local terms energy: -54.111156
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -2.091
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: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -342.567788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.567788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.567788 (E_RNA)
where:
Base-Base interactions energy: -231.829
where: short stacking energy: -106.259
Base-Backbone interact. energy: -0.021
local terms energy: -110.718121
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -30.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -337.178972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.178972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.178972 (E_RNA)
where:
Base-Base interactions energy: -227.225
where: short stacking energy: -93.018
Base-Backbone interact. energy: -0.559
local terms energy: -109.394438
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -30.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -291.699286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.699286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.699286 (E_RNA)
where:
Base-Base interactions energy: -192.315
where: short stacking energy: -75.062
Base-Backbone interact. energy: 0.890
local terms energy: -100.274235
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -22.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -263.535260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.535260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.535260 (E_RNA)
where:
Base-Base interactions energy: -163.700
where: short stacking energy: -75.639
Base-Backbone interact. energy: -0.788
local terms energy: -99.047933
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -253.091076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.091076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.091076 (E_RNA)
where:
Base-Base interactions energy: -161.770
where: short stacking energy: -84.097
Base-Backbone interact. energy: -0.165
local terms energy: -91.156759
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -26.513
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: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -247.092736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.092736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.092736 (E_RNA)
where:
Base-Base interactions energy: -166.485
where: short stacking energy: -85.690
Base-Backbone interact. energy: -0.227
local terms energy: -80.381594
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -154.603309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.603309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.603309 (E_RNA)
where:
Base-Base interactions energy: -67.242
where: short stacking energy: -62.119
Base-Backbone interact. energy: -0.020
local terms energy: -87.340623
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -12.155
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: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -117.769742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.769742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.769742 (E_RNA)
where:
Base-Base interactions energy: -55.186
where: short stacking energy: -52.356
Base-Backbone interact. energy: -0.889
local terms energy: -61.694351
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -113.406342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.406342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.406342 (E_RNA)
where:
Base-Base interactions energy: -35.837
where: short stacking energy: -35.837
Base-Backbone interact. energy: -0.241
local terms energy: -77.328833
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -0.078
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: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -95.189731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.189731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.189731 (E_RNA)
where:
Base-Base interactions energy: -36.637
where: short stacking energy: -27.198
Base-Backbone interact. energy: 0.588
local terms energy: -59.140922
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: 1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -335.316328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.316328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.316328 (E_RNA)
where:
Base-Base interactions energy: -225.416
where: short stacking energy: -103.265
Base-Backbone interact. energy: -0.165
local terms energy: -109.734831
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -29.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -344.628995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.628995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.628995 (E_RNA)
where:
Base-Base interactions energy: -224.931
where: short stacking energy: -100.446
Base-Backbone interact. energy: -1.098
local terms energy: -118.599512
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -34.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -272.527656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.527656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.527656 (E_RNA)
where:
Base-Base interactions energy: -174.927
where: short stacking energy: -91.493
Base-Backbone interact. energy: -0.020
local terms energy: -97.580929
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -288.763674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.763674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.763674 (E_RNA)
where:
Base-Base interactions energy: -193.637
where: short stacking energy: -85.962
Base-Backbone interact. energy: -0.431
local terms energy: -94.695685
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -259.784261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.784261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.784261 (E_RNA)
where:
Base-Base interactions energy: -164.234
where: short stacking energy: -79.273
Base-Backbone interact. energy: -0.469
local terms energy: -95.081559
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -23.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -253.088705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.088705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.088705 (E_RNA)
where:
Base-Base interactions energy: -165.461
where: short stacking energy: -72.267
Base-Backbone interact. energy: -0.093
local terms energy: -87.534467
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -22.137
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: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -168.973339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.973339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.973339 (E_RNA)
where:
Base-Base interactions energy: -93.250
where: short stacking energy: -49.535
Base-Backbone interact. energy: -0.454
local terms energy: -75.269491
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -140.056674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.056674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.056674 (E_RNA)
where:
Base-Base interactions energy: -65.488
where: short stacking energy: -37.588
Base-Backbone interact. energy: 0.098
local terms energy: -74.667638
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -110.669758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.669758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.669758 (E_RNA)
where:
Base-Base interactions energy: -49.903
where: short stacking energy: -36.463
Base-Backbone interact. energy: -0.462
local terms energy: -60.304241
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -104.865322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.865322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.865322 (E_RNA)
where:
Base-Base interactions energy: -34.562
where: short stacking energy: -33.778
Base-Backbone interact. energy: -0.107
local terms energy: -70.196275
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -9.778
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: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -338.263930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.263930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.263930 (E_RNA)
where:
Base-Base interactions energy: -224.426
where: short stacking energy: -100.344
Base-Backbone interact. energy: -0.052
local terms energy: -113.786369
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -32.702
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: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -341.611763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.611763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.611763 (E_RNA)
where:
Base-Base interactions energy: -227.018
where: short stacking energy: -95.519
Base-Backbone interact. energy: -1.736
local terms energy: -112.857396
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -25.484
flat angles C4'-P-C4' energy: -21.322
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -28.469
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: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -282.995228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.995228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.995228 (E_RNA)
where:
Base-Base interactions energy: -183.313
where: short stacking energy: -90.550
Base-Backbone interact. energy: -1.129
local terms energy: -98.553485
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -22.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -285.718609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.718609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.718609 (E_RNA)
where:
Base-Base interactions energy: -194.907
where: short stacking energy: -89.032
Base-Backbone interact. energy: -0.003
local terms energy: -90.808547
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -257.060982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.060982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.060982 (E_RNA)
where:
Base-Base interactions energy: -160.580
where: short stacking energy: -84.516
Base-Backbone interact. energy: -0.183
local terms energy: -96.298374
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -22.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -263.813637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.813637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.813637 (E_RNA)
where:
Base-Base interactions energy: -166.753
where: short stacking energy: -79.162
Base-Backbone interact. energy: -0.328
local terms energy: -96.732661
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -26.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -174.224771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.224771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.224771 (E_RNA)
where:
Base-Base interactions energy: -89.364
where: short stacking energy: -56.121
Base-Backbone interact. energy: -0.174
local terms energy: -84.686457
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -13.996
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: 71
Temperature: 1.250000
Total energy: -128.288331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.288331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.288331 (E_RNA)
where:
Base-Base interactions energy: -56.077
where: short stacking energy: -43.241
Base-Backbone interact. energy: -0.117
local terms energy: -72.094969
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -6.952
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: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -112.171531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.171531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.171531 (E_RNA)
where:
Base-Base interactions energy: -41.060
where: short stacking energy: -38.304
Base-Backbone interact. energy: -0.612
local terms energy: -70.499380
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -0.880
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: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -106.242408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.242408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.242408 (E_RNA)
where:
Base-Base interactions energy: -43.857
where: short stacking energy: -37.785
Base-Backbone interact. energy: 0.115
local terms energy: -62.499825
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -9.800
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: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -341.363275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.363275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.363275 (E_RNA)
where:
Base-Base interactions energy: -228.330
where: short stacking energy: -97.974
Base-Backbone interact. energy: -2.695
local terms energy: -110.338265
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -32.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -334.513655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.513655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.513655 (E_RNA)
where:
Base-Base interactions energy: -224.186
where: short stacking energy: -95.088
Base-Backbone interact. energy: -0.211
local terms energy: -110.116911
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -33.994
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: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -271.570948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.570948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.570948 (E_RNA)
where:
Base-Base interactions energy: -170.002
where: short stacking energy: -89.759
Base-Backbone interact. energy: -0.129
local terms energy: -101.439654
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -20.640
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -23.019
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: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -293.153658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.153658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.153658 (E_RNA)
where:
Base-Base interactions energy: -195.250
where: short stacking energy: -77.870
Base-Backbone interact. energy: -0.046
local terms energy: -97.857707
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -24.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -265.366747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.366747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.366747 (E_RNA)
where:
Base-Base interactions energy: -173.047
where: short stacking energy: -89.820
Base-Backbone interact. energy: -0.387
local terms energy: -91.932805
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -267.422385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.422385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.422385 (E_RNA)
where:
Base-Base interactions energy: -165.025
where: short stacking energy: -78.870
Base-Backbone interact. energy: -0.007
local terms energy: -102.390790
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -26.635
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: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -122.234771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.234771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.234771 (E_RNA)
where:
Base-Base interactions energy: -47.936
where: short stacking energy: -37.670
Base-Backbone interact. energy: 1.218
local terms energy: -75.516773
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -2.354
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: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -173.432325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.432325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.432325 (E_RNA)
where:
Base-Base interactions energy: -95.008
where: short stacking energy: -62.228
Base-Backbone interact. energy: -0.015
local terms energy: -78.409125
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -14.562
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: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -112.420440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.420440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.420440 (E_RNA)
where:
Base-Base interactions energy: -46.894
where: short stacking energy: -28.904
Base-Backbone interact. energy: -0.823
local terms energy: -64.703011
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: 1.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -106.637572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.637572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.637572 (E_RNA)
where:
Base-Base interactions energy: -40.930
where: short stacking energy: -25.395
Base-Backbone interact. energy: -0.642
local terms energy: -65.065311
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -1.726
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: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -346.851181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.851181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.851181 (E_RNA)
where:
Base-Base interactions energy: -228.857
where: short stacking energy: -103.527
Base-Backbone interact. energy: -0.085
local terms energy: -117.909110
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -24.034
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -33.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -349.256718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.256718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.256718 (E_RNA)
where:
Base-Base interactions energy: -229.694
where: short stacking energy: -96.207
Base-Backbone interact. energy: -0.355
local terms energy: -119.207300
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -19.060
tors. eta vs tors. theta energy: -30.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -265.953692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.953692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.953692 (E_RNA)
where:
Base-Base interactions energy: -168.193
where: short stacking energy: -82.959
Base-Backbone interact. energy: -0.808
local terms energy: -96.953240
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -17.439
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: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -293.060594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.060594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.060594 (E_RNA)
where:
Base-Base interactions energy: -190.837
where: short stacking energy: -87.598
Base-Backbone interact. energy: -0.261
local terms energy: -101.962336
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -29.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -265.170268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.170268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.170268 (E_RNA)
where:
Base-Base interactions energy: -175.679
where: short stacking energy: -75.892
Base-Backbone interact. energy: 0.092
local terms energy: -89.582897
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -224.835035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.835035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.835035 (E_RNA)
where:
Base-Base interactions energy: -142.149
where: short stacking energy: -67.826
Base-Backbone interact. energy: -0.371
local terms energy: -82.314178
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -10.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -127.368750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.368750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.368750 (E_RNA)
where:
Base-Base interactions energy: -55.832
where: short stacking energy: -46.398
Base-Backbone interact. energy: -0.853
local terms energy: -70.682974
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -148.672012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.672012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.672012 (E_RNA)
where:
Base-Base interactions energy: -76.511
where: short stacking energy: -37.674
Base-Backbone interact. energy: -0.162
local terms energy: -71.998852
where:
bonds (distance) C4'-P energy: -19.956
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -97.662700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.662700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.662700 (E_RNA)
where:
Base-Base interactions energy: -32.158
where: short stacking energy: -31.934
Base-Backbone interact. energy: 0.320
local terms energy: -65.824494
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -99.576544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.576544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.576544 (E_RNA)
where:
Base-Base interactions energy: -35.304
where: short stacking energy: -25.316
Base-Backbone interact. energy: -0.302
local terms energy: -63.970178
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -340.914015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.914015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.914015 (E_RNA)
where:
Base-Base interactions energy: -223.217
where: short stacking energy: -103.270
Base-Backbone interact. energy: -0.012
local terms energy: -117.684436
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -31.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -344.096920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.096920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.096920 (E_RNA)
where:
Base-Base interactions energy: -226.214
where: short stacking energy: -103.013
Base-Backbone interact. energy: -1.946
local terms energy: -115.937062
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -26.753
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -36.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -289.770911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.770911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.770911 (E_RNA)
where:
Base-Base interactions energy: -191.016
where: short stacking energy: -88.777
Base-Backbone interact. energy: -0.145
local terms energy: -98.609737
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -20.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -269.449890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.449890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.449890 (E_RNA)
where:
Base-Base interactions energy: -177.668
where: short stacking energy: -89.125
Base-Backbone interact. energy: -0.062
local terms energy: -91.719453
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -23.497
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: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -260.145318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.145318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.145318 (E_RNA)
where:
Base-Base interactions energy: -163.594
where: short stacking energy: -80.086
Base-Backbone interact. energy: -0.018
local terms energy: -96.533172
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -22.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -228.954011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.954011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.954011 (E_RNA)
where:
Base-Base interactions energy: -148.359
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.900
local terms energy: -79.694743
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -138.997803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.997803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.997803 (E_RNA)
where:
Base-Base interactions energy: -56.379
where: short stacking energy: -43.320
Base-Backbone interact. energy: -0.130
local terms energy: -82.488864
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -116.450444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.450444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.450444 (E_RNA)
where:
Base-Base interactions energy: -45.125
where: short stacking energy: -40.201
Base-Backbone interact. energy: 0.016
local terms energy: -71.340636
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: 3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -106.253646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.253646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.253646 (E_RNA)
where:
Base-Base interactions energy: -43.145
where: short stacking energy: -41.300
Base-Backbone interact. energy: -0.137
local terms energy: -62.971523
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -92.362659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.362659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.362659 (E_RNA)
where:
Base-Base interactions energy: -34.545
where: short stacking energy: -30.359
Base-Backbone interact. energy: 0.946
local terms energy: -58.763329
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -5.725
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: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -343.826171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.826171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.826171 (E_RNA)
where:
Base-Base interactions energy: -237.338
where: short stacking energy: -99.262
Base-Backbone interact. energy: -1.007
local terms energy: -105.481015
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -31.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -339.908211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.908211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.908211 (E_RNA)
where:
Base-Base interactions energy: -227.218
where: short stacking energy: -105.704
Base-Backbone interact. energy: -0.471
local terms energy: -112.219454
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -21.600
flat angles P-C4'-P energy: -18.380
tors. eta vs tors. theta energy: -31.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -289.679586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.679586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.679586 (E_RNA)
where:
Base-Base interactions energy: -195.289
where: short stacking energy: -79.810
Base-Backbone interact. energy: -0.236
local terms energy: -94.154374
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -11.154
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: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -279.640501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.640501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.640501 (E_RNA)
where:
Base-Base interactions energy: -172.737
where: short stacking energy: -80.083
Base-Backbone interact. energy: -0.010
local terms energy: -106.893154
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -22.791
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: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -257.692555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.692555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.692555 (E_RNA)
where:
Base-Base interactions energy: -159.788
where: short stacking energy: -77.157
Base-Backbone interact. energy: -0.302
local terms energy: -97.602436
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -20.938
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -15.411
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: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -242.228879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.228879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.228879 (E_RNA)
where:
Base-Base interactions energy: -156.324
where: short stacking energy: -73.525
Base-Backbone interact. energy: -0.741
local terms energy: -85.163825
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -19.967
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -112.090618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.090618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.090618 (E_RNA)
where:
Base-Base interactions energy: -50.867
where: short stacking energy: -40.160
Base-Backbone interact. energy: -0.984
local terms energy: -60.239475
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -7.146
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -145.712176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.712176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.712176 (E_RNA)
where:
Base-Base interactions energy: -69.845
where: short stacking energy: -43.171
Base-Backbone interact. energy: 0.609
local terms energy: -76.476706
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -120.646789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.646789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.646789 (E_RNA)
where:
Base-Base interactions energy: -47.825
where: short stacking energy: -42.680
Base-Backbone interact. energy: 2.250
local terms energy: -75.072049
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -10.955
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: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -107.022037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.022037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.022037 (E_RNA)
where:
Base-Base interactions energy: -28.724
where: short stacking energy: -25.797
Base-Backbone interact. energy: -0.224
local terms energy: -78.074209
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -346.875932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.875932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.875932 (E_RNA)
where:
Base-Base interactions energy: -231.835
where: short stacking energy: -106.951
Base-Backbone interact. energy: -2.472
local terms energy: -112.568913
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -34.581
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: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -329.530901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.530901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.530901 (E_RNA)
where:
Base-Base interactions energy: -219.468
where: short stacking energy: -98.889
Base-Backbone interact. energy: -0.518
local terms energy: -109.545703
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -23.778
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -30.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -286.401394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.401394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.401394 (E_RNA)
where:
Base-Base interactions energy: -189.527
where: short stacking energy: -80.434
Base-Backbone interact. energy: -1.178
local terms energy: -95.696381
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -277.616356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.616356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.616356 (E_RNA)
where:
Base-Base interactions energy: -178.504
where: short stacking energy: -83.440
Base-Backbone interact. energy: -0.888
local terms energy: -98.224856
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -25.037
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -257.098554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.098554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.098554 (E_RNA)
where:
Base-Base interactions energy: -163.570
where: short stacking energy: -76.965
Base-Backbone interact. energy: -1.284
local terms energy: -92.244181
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -246.842430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.842430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.842430 (E_RNA)
where:
Base-Base interactions energy: -162.965
where: short stacking energy: -70.557
Base-Backbone interact. energy: -0.765
local terms energy: -83.112970
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -127.346949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.346949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.346949 (E_RNA)
where:
Base-Base interactions energy: -57.195
where: short stacking energy: -44.217
Base-Backbone interact. energy: -0.376
local terms energy: -69.776540
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -24.879
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -156.467108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.467108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.467108 (E_RNA)
where:
Base-Base interactions energy: -77.501
where: short stacking energy: -40.241
Base-Backbone interact. energy: 0.508
local terms energy: -79.473440
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -103.741698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.741698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.741698 (E_RNA)
where:
Base-Base interactions energy: -53.031
where: short stacking energy: -42.451
Base-Backbone interact. energy: -0.500
local terms energy: -50.210014
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: 2.727
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: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -106.626655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.626655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.626655 (E_RNA)
where:
Base-Base interactions energy: -37.021
where: short stacking energy: -34.399
Base-Backbone interact. energy: -0.308
local terms energy: -69.296939
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -339.450327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.450327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.450327 (E_RNA)
where:
Base-Base interactions energy: -228.230
where: short stacking energy: -102.356
Base-Backbone interact. energy: -1.422
local terms energy: -109.797926
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -28.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -342.155244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.155244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.155244 (E_RNA)
where:
Base-Base interactions energy: -227.804
where: short stacking energy: -102.843
Base-Backbone interact. energy: -0.607
local terms energy: -113.744621
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -32.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -283.233328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.233328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.233328 (E_RNA)
where:
Base-Base interactions energy: -182.312
where: short stacking energy: -82.332
Base-Backbone interact. energy: -1.132
local terms energy: -99.789048
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -280.681605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.681605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.681605 (E_RNA)
where:
Base-Base interactions energy: -181.869
where: short stacking energy: -89.334
Base-Backbone interact. energy: -0.009
local terms energy: -98.803293
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -23.664
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -25.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -272.091202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.091202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.091202 (E_RNA)
where:
Base-Base interactions energy: -169.510
where: short stacking energy: -90.316
Base-Backbone interact. energy: -0.011
local terms energy: -102.570278
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -25.030
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -25.137
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: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -255.052579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.052579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.052579 (E_RNA)
where:
Base-Base interactions energy: -156.324
where: short stacking energy: -78.748
Base-Backbone interact. energy: -0.652
local terms energy: -98.076480
where:
bonds (distance) C4'-P energy: -18.890
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -23.354
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: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -147.778157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.778157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.778157 (E_RNA)
where:
Base-Base interactions energy: -74.066
where: short stacking energy: -61.627
Base-Backbone interact. energy: 0.834
local terms energy: -74.545725
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -9.709
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: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -111.451610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.451610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.451610 (E_RNA)
where:
Base-Base interactions energy: -42.370
where: short stacking energy: -34.555
Base-Backbone interact. energy: 0.830
local terms energy: -69.911770
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -108.260861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.260861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.260861 (E_RNA)
where:
Base-Base interactions energy: -45.671
where: short stacking energy: -28.259
Base-Backbone interact. energy: 0.009
local terms energy: -62.598672
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -107.524909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.524909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.524909 (E_RNA)
where:
Base-Base interactions energy: -40.779
where: short stacking energy: -37.469
Base-Backbone interact. energy: 1.772
local terms energy: -68.517238
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: 4.085
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: 78
Temperature: 0.900000
Total energy: -351.865760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.865760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.865760 (E_RNA)
where:
Base-Base interactions energy: -227.204
where: short stacking energy: -104.656
Base-Backbone interact. energy: -0.694
local terms energy: -123.968084
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -34.249
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: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -342.126735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.126735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.126735 (E_RNA)
where:
Base-Base interactions energy: -232.110
where: short stacking energy: -95.726
Base-Backbone interact. energy: -0.810
local terms energy: -109.207269
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -30.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -286.586238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.586238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.586238 (E_RNA)
where:
Base-Base interactions energy: -192.978
where: short stacking energy: -87.142
Base-Backbone interact. energy: -0.481
local terms energy: -93.127177
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -20.697
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: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -285.648637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.648637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.648637 (E_RNA)
where:
Base-Base interactions energy: -183.593
where: short stacking energy: -97.365
Base-Backbone interact. energy: 0.091
local terms energy: -102.146900
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -28.149
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: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -275.030298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.030298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.030298 (E_RNA)
where:
Base-Base interactions energy: -173.693
where: short stacking energy: -88.417
Base-Backbone interact. energy: -0.921
local terms energy: -100.416803
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -21.406
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -24.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -259.358184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.358184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.358184 (E_RNA)
where:
Base-Base interactions energy: -164.184
where: short stacking energy: -80.491
Base-Backbone interact. energy: -0.162
local terms energy: -95.012354
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -24.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -147.260490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.260490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.260490 (E_RNA)
where:
Base-Base interactions energy: -81.398
where: short stacking energy: -41.531
Base-Backbone interact. energy: -0.466
local terms energy: -65.396708
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -11.397
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: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -116.472697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.472697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.472697 (E_RNA)
where:
Base-Base interactions energy: -40.409
where: short stacking energy: -40.342
Base-Backbone interact. energy: 1.579
local terms energy: -77.643015
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -104.576975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.576975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.576975 (E_RNA)
where:
Base-Base interactions energy: -32.654
where: short stacking energy: -22.466
Base-Backbone interact. energy: -0.055
local terms energy: -71.867693
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -104.467326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.467326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.467326 (E_RNA)
where:
Base-Base interactions energy: -45.802
where: short stacking energy: -45.498
Base-Backbone interact. energy: -0.258
local terms energy: -58.407446
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -3.571
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -333.595115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.595115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.595115 (E_RNA)
where:
Base-Base interactions energy: -221.092
where: short stacking energy: -99.697
Base-Backbone interact. energy: -1.928
local terms energy: -110.575297
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -28.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -338.516798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.516798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.516798 (E_RNA)
where:
Base-Base interactions energy: -225.017
where: short stacking energy: -101.044
Base-Backbone interact. energy: -0.295
local terms energy: -113.205013
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -32.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -273.667259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.667259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.667259 (E_RNA)
where:
Base-Base interactions energy: -179.401
where: short stacking energy: -82.389
Base-Backbone interact. energy: -0.046
local terms energy: -94.220769
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -15.585
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: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -280.350588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.350588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.350588 (E_RNA)
where:
Base-Base interactions energy: -177.662
where: short stacking energy: -91.687
Base-Backbone interact. energy: -0.003
local terms energy: -102.685671
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -28.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -258.574878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.574878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.574878 (E_RNA)
where:
Base-Base interactions energy: -162.708
where: short stacking energy: -78.770
Base-Backbone interact. energy: 0.218
local terms energy: -96.084751
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -249.257943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.257943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.257943 (E_RNA)
where:
Base-Base interactions energy: -159.036
where: short stacking energy: -75.217
Base-Backbone interact. energy: -0.182
local terms energy: -90.039805
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -149.976834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.976834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.976834 (E_RNA)
where:
Base-Base interactions energy: -74.780
where: short stacking energy: -40.055
Base-Backbone interact. energy: -0.410
local terms energy: -74.786517
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -9.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -121.763761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.763761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.763761 (E_RNA)
where:
Base-Base interactions energy: -51.267
where: short stacking energy: -37.608
Base-Backbone interact. energy: -0.283
local terms energy: -70.213980
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -99.927875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.927875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.927875 (E_RNA)
where:
Base-Base interactions energy: -37.341
where: short stacking energy: -37.341
Base-Backbone interact. energy: -0.293
local terms energy: -62.293700
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -1.829
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: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -99.511269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.511269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.511269 (E_RNA)
where:
Base-Base interactions energy: -29.926
where: short stacking energy: -26.936
Base-Backbone interact. energy: -0.253
local terms energy: -69.332146
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: 0.556
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: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -351.557844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.557844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.557844 (E_RNA)
where:
Base-Base interactions energy: -233.651
where: short stacking energy: -106.063
Base-Backbone interact. energy: -2.806
local terms energy: -115.101215
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -31.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -340.806852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.806852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.806852 (E_RNA)
where:
Base-Base interactions energy: -228.788
where: short stacking energy: -98.055
Base-Backbone interact. energy: -1.293
local terms energy: -110.725697
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -32.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -281.320158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.320158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.320158 (E_RNA)
where:
Base-Base interactions energy: -175.736
where: short stacking energy: -97.667
Base-Backbone interact. energy: -0.293
local terms energy: -105.290915
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -24.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -287.371434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.371434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.371434 (E_RNA)
where:
Base-Base interactions energy: -198.929
where: short stacking energy: -85.018
Base-Backbone interact. energy: -0.756
local terms energy: -87.685954
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -261.519911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.519911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.519911 (E_RNA)
where:
Base-Base interactions energy: -168.166
where: short stacking energy: -79.871
Base-Backbone interact. energy: -0.047
local terms energy: -93.306211
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -22.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -250.009584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.009584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.009584 (E_RNA)
where:
Base-Base interactions energy: -168.783
where: short stacking energy: -88.202
Base-Backbone interact. energy: -0.091
local terms energy: -81.134876
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -4.812
tors. eta vs tors. theta energy: -19.818
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: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -141.771880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.771880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.771880 (E_RNA)
where:
Base-Base interactions energy: -65.894
where: short stacking energy: -35.104
Base-Backbone interact. energy: -1.376
local terms energy: -74.502523
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -8.261
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: 8, replica: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -125.787014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.787014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.787014 (E_RNA)
where:
Base-Base interactions energy: -62.407
where: short stacking energy: -47.881
Base-Backbone interact. energy: -0.556
local terms energy: -62.823475
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -122.161617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.161617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.161617 (E_RNA)
where:
Base-Base interactions energy: -54.024
where: short stacking energy: -37.320
Base-Backbone interact. energy: -1.754
local terms energy: -66.383876
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -105.747357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.747357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.747357 (E_RNA)
where:
Base-Base interactions energy: -39.731
where: short stacking energy: -36.604
Base-Backbone interact. energy: -0.085
local terms energy: -65.931226
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -349.293146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.293146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.293146 (E_RNA)
where:
Base-Base interactions energy: -234.280
where: short stacking energy: -101.690
Base-Backbone interact. energy: -1.959
local terms energy: -113.053840
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -34.734
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: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -343.148417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.148417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.148417 (E_RNA)
where:
Base-Base interactions energy: -225.369
where: short stacking energy: -103.996
Base-Backbone interact. energy: -1.840
local terms energy: -115.939291
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -35.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -281.969614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.969614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.969614 (E_RNA)
where:
Base-Base interactions energy: -175.209
where: short stacking energy: -91.339
Base-Backbone interact. energy: -0.245
local terms energy: -106.515498
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -18.842
tors. eta vs tors. theta energy: -24.422
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: 81
Temperature: 1.050000
Total energy: -258.941712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.941712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.941712 (E_RNA)
where:
Base-Base interactions energy: -165.752
where: short stacking energy: -75.731
Base-Backbone interact. energy: -0.370
local terms energy: -92.819340
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -16.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -287.210264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.210264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.210264 (E_RNA)
where:
Base-Base interactions energy: -183.795
where: short stacking energy: -83.310
Base-Backbone interact. energy: -0.133
local terms energy: -103.282867
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -24.037
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -260.863878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.863878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.863878 (E_RNA)
where:
Base-Base interactions energy: -169.104
where: short stacking energy: -83.443
Base-Backbone interact. energy: -0.194
local terms energy: -91.566586
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -21.900
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -164.090057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.090057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.090057 (E_RNA)
where:
Base-Base interactions energy: -89.633
where: short stacking energy: -49.390
Base-Backbone interact. energy: -0.107
local terms energy: -74.350778
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -10.973
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: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -114.227701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.227701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.227701 (E_RNA)
where:
Base-Base interactions energy: -44.657
where: short stacking energy: -28.793
Base-Backbone interact. energy: -0.527
local terms energy: -69.043540
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: 3.992
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: 2
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -101.128730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.128730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.128730 (E_RNA)
where:
Base-Base interactions energy: -43.662
where: short stacking energy: -30.735
Base-Backbone interact. energy: -0.212
local terms energy: -57.255492
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -110.904161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.904161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.904161 (E_RNA)
where:
Base-Base interactions energy: -36.759
where: short stacking energy: -27.238
Base-Backbone interact. energy: -0.317
local terms energy: -73.828395
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -354.546075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.546075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.546075 (E_RNA)
where:
Base-Base interactions energy: -236.666
where: short stacking energy: -99.001
Base-Backbone interact. energy: -2.371
local terms energy: -115.508906
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -30.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -320.877217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.877217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.877217 (E_RNA)
where:
Base-Base interactions energy: -221.491
where: short stacking energy: -91.634
Base-Backbone interact. energy: -1.067
local terms energy: -98.319880
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -29.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -277.370224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.370224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.370224 (E_RNA)
where:
Base-Base interactions energy: -178.515
where: short stacking energy: -92.311
Base-Backbone interact. energy: 0.241
local terms energy: -99.096400
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -23.064
flat angles P-C4'-P energy: -17.197
tors. eta vs tors. theta energy: -23.795
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: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -274.120771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.120771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.120771 (E_RNA)
where:
Base-Base interactions energy: -169.393
where: short stacking energy: -90.358
Base-Backbone interact. energy: -0.098
local terms energy: -104.629204
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -23.259
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -25.212
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: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -263.546811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.546811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.546811 (E_RNA)
where:
Base-Base interactions energy: -161.953
where: short stacking energy: -74.738
Base-Backbone interact. energy: 1.197
local terms energy: -102.791323
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -21.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -269.076019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.076019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.076019 (E_RNA)
where:
Base-Base interactions energy: -171.142
where: short stacking energy: -84.309
Base-Backbone interact. energy: -0.394
local terms energy: -97.539886
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -25.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -132.701600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.701600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.701600 (E_RNA)
where:
Base-Base interactions energy: -55.669
where: short stacking energy: -52.994
Base-Backbone interact. energy: -1.606
local terms energy: -75.426428
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -12.010
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: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -111.785497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.785497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.785497 (E_RNA)
where:
Base-Base interactions energy: -39.264
where: short stacking energy: -26.255
Base-Backbone interact. energy: -0.339
local terms energy: -72.182630
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -7.180
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: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -106.398828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.398828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.398828 (E_RNA)
where:
Base-Base interactions energy: -40.915
where: short stacking energy: -39.670
Base-Backbone interact. energy: -0.049
local terms energy: -65.434186
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: 4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -96.344694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.344694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.344694 (E_RNA)
where:
Base-Base interactions energy: -40.837
where: short stacking energy: -36.972
Base-Backbone interact. energy: -0.301
local terms energy: -55.206166
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -7.528
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: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -344.770161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.770161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.770161 (E_RNA)
where:
Base-Base interactions energy: -235.966
where: short stacking energy: -107.384
Base-Backbone interact. energy: 0.506
local terms energy: -109.309968
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -32.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -325.140513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.140513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.140513 (E_RNA)
where:
Base-Base interactions energy: -226.735
where: short stacking energy: -93.267
Base-Backbone interact. energy: -0.622
local terms energy: -97.783584
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -29.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -276.283287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.283287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.283287 (E_RNA)
where:
Base-Base interactions energy: -175.306
where: short stacking energy: -90.608
Base-Backbone interact. energy: 0.099
local terms energy: -101.076232
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -23.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -264.791569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.791569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.791569 (E_RNA)
where:
Base-Base interactions energy: -163.396
where: short stacking energy: -78.315
Base-Backbone interact. energy: -1.080
local terms energy: -100.315987
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -270.661144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.661144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.661144 (E_RNA)
where:
Base-Base interactions energy: -182.504
where: short stacking energy: -87.210
Base-Backbone interact. energy: 1.926
local terms energy: -90.083533
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -284.094367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.094367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.094367 (E_RNA)
where:
Base-Base interactions energy: -182.209
where: short stacking energy: -91.528
Base-Backbone interact. energy: -0.088
local terms energy: -101.797605
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -118.272141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.272141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.272141 (E_RNA)
where:
Base-Base interactions energy: -43.449
where: short stacking energy: -43.449
Base-Backbone interact. energy: -0.253
local terms energy: -74.570276
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -9.932
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: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -118.446875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.446875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.446875 (E_RNA)
where:
Base-Base interactions energy: -48.058
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.884
local terms energy: -69.504780
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -98.320803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.320803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.320803 (E_RNA)
where:
Base-Base interactions energy: -34.954
where: short stacking energy: -34.954
Base-Backbone interact. energy: -0.689
local terms energy: -62.678103
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -2.940
tors. eta vs tors. theta energy: 0.027
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: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -102.870256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.870256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.870256 (E_RNA)
where:
Base-Base interactions energy: -43.541
where: short stacking energy: -38.012
Base-Backbone interact. energy: -0.221
local terms energy: -59.108425
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -339.944520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.944520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.944520 (E_RNA)
where:
Base-Base interactions energy: -230.006
where: short stacking energy: -102.693
Base-Backbone interact. energy: -1.982
local terms energy: -107.957389
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -31.284
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: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -339.534725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.534725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.534725 (E_RNA)
where:
Base-Base interactions energy: -223.138
where: short stacking energy: -103.949
Base-Backbone interact. energy: -0.512
local terms energy: -115.885030
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -34.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -289.355416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.355416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.355416 (E_RNA)
where:
Base-Base interactions energy: -184.490
where: short stacking energy: -95.584
Base-Backbone interact. energy: 1.561
local terms energy: -106.427029
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -28.837
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: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -279.827375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.827375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.827375 (E_RNA)
where:
Base-Base interactions energy: -178.028
where: short stacking energy: -82.791
Base-Backbone interact. energy: -1.706
local terms energy: -100.093919
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -260.085226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.085226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.085226 (E_RNA)
where:
Base-Base interactions energy: -174.521
where: short stacking energy: -82.491
Base-Backbone interact. energy: -0.709
local terms energy: -84.855233
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -275.056762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.056762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.056762 (E_RNA)
where:
Base-Base interactions energy: -196.975
where: short stacking energy: -80.639
Base-Backbone interact. energy: -0.550
local terms energy: -77.531704
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -127.001598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.001598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.001598 (E_RNA)
where:
Base-Base interactions energy: -59.801
where: short stacking energy: -53.613
Base-Backbone interact. energy: 3.221
local terms energy: -70.421214
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -22.810
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -109.162972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.162972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.162972 (E_RNA)
where:
Base-Base interactions energy: -45.054
where: short stacking energy: -45.054
Base-Backbone interact. energy: -0.298
local terms energy: -63.811438
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -9.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -110.767566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.767566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.767566 (E_RNA)
where:
Base-Base interactions energy: -42.443
where: short stacking energy: -41.788
Base-Backbone interact. energy: 0.668
local terms energy: -68.992534
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -110.567191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.567191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.567191 (E_RNA)
where:
Base-Base interactions energy: -46.129
where: short stacking energy: -34.389
Base-Backbone interact. energy: -0.211
local terms energy: -64.226511
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: 2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -337.775368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.775368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.775368 (E_RNA)
where:
Base-Base interactions energy: -223.723
where: short stacking energy: -94.499
Base-Backbone interact. energy: -1.529
local terms energy: -112.523422
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -34.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -345.170171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.170171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.170171 (E_RNA)
where:
Base-Base interactions energy: -232.248
where: short stacking energy: -100.868
Base-Backbone interact. energy: -1.492
local terms energy: -111.429435
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -32.383
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: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -276.696133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.696133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.696133 (E_RNA)
where:
Base-Base interactions energy: -170.901
where: short stacking energy: -92.490
Base-Backbone interact. energy: -0.007
local terms energy: -105.787887
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -21.308
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -26.686
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: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -281.590558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.590558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.590558 (E_RNA)
where:
Base-Base interactions energy: -178.806
where: short stacking energy: -82.502
Base-Backbone interact. energy: -0.312
local terms energy: -102.472644
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -20.673
tors. eta vs tors. theta energy: -22.181
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: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -262.495625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.495625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.495625 (E_RNA)
where:
Base-Base interactions energy: -174.737
where: short stacking energy: -77.408
Base-Backbone interact. energy: -0.217
local terms energy: -87.541940
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -260.939456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.939456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.939456 (E_RNA)
where:
Base-Base interactions energy: -178.424
where: short stacking energy: -90.178
Base-Backbone interact. energy: -0.150
local terms energy: -82.365249
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -121.905626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.905626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.905626 (E_RNA)
where:
Base-Base interactions energy: -57.989
where: short stacking energy: -45.486
Base-Backbone interact. energy: -0.196
local terms energy: -63.720485
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -125.065588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.065588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.065588 (E_RNA)
where:
Base-Base interactions energy: -61.674
where: short stacking energy: -60.692
Base-Backbone interact. energy: 0.644
local terms energy: -64.036195
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -106.910721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.910721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.910721 (E_RNA)
where:
Base-Base interactions energy: -44.673
where: short stacking energy: -35.257
Base-Backbone interact. energy: -0.389
local terms energy: -61.848056
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -105.150975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.150975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.150975 (E_RNA)
where:
Base-Base interactions energy: -39.030
where: short stacking energy: -38.427
Base-Backbone interact. energy: 0.038
local terms energy: -66.158713
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -341.848477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.848477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.848477 (E_RNA)
where:
Base-Base interactions energy: -231.056
where: short stacking energy: -93.741
Base-Backbone interact. energy: -1.763
local terms energy: -109.029113
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -30.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -330.816434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.816434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.816434 (E_RNA)
where:
Base-Base interactions energy: -211.414
where: short stacking energy: -89.968
Base-Backbone interact. energy: -2.366
local terms energy: -117.036710
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -33.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -292.412209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.412209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.412209 (E_RNA)
where:
Base-Base interactions energy: -189.874
where: short stacking energy: -93.607
Base-Backbone interact. energy: 0.658
local terms energy: -103.196654
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -26.338
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: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -279.852989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.852989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.852989 (E_RNA)
where:
Base-Base interactions energy: -178.124
where: short stacking energy: -88.724
Base-Backbone interact. energy: -1.326
local terms energy: -100.402731
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -26.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -270.815604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.815604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.815604 (E_RNA)
where:
Base-Base interactions energy: -178.259
where: short stacking energy: -83.869
Base-Backbone interact. energy: -0.434
local terms energy: -92.122119
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -221.884737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.884737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.884737 (E_RNA)
where:
Base-Base interactions energy: -130.266
where: short stacking energy: -68.232
Base-Backbone interact. energy: -0.610
local terms energy: -91.008558
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -11.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -120.579442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.579442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.579442 (E_RNA)
where:
Base-Base interactions energy: -51.006
where: short stacking energy: -39.401
Base-Backbone interact. energy: -0.040
local terms energy: -69.533762
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -167.693828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.693828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.693828 (E_RNA)
where:
Base-Base interactions energy: -104.940
where: short stacking energy: -63.825
Base-Backbone interact. energy: -0.038
local terms energy: -62.715986
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -9.271
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: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -112.172246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.172246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.172246 (E_RNA)
where:
Base-Base interactions energy: -43.903
where: short stacking energy: -30.860
Base-Backbone interact. energy: -0.637
local terms energy: -67.631980
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -12.093
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: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -98.533506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.533506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.533506 (E_RNA)
where:
Base-Base interactions energy: -42.599
where: short stacking energy: -29.991
Base-Backbone interact. energy: -0.101
local terms energy: -55.833857
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -12.055
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: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -348.415719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.415719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.415719 (E_RNA)
where:
Base-Base interactions energy: -239.647
where: short stacking energy: -103.903
Base-Backbone interact. energy: -1.450
local terms energy: -107.319081
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -20.963
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -32.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -328.733087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.733087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.733087 (E_RNA)
where:
Base-Base interactions energy: -214.378
where: short stacking energy: -90.851
Base-Backbone interact. energy: -0.138
local terms energy: -114.217123
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -24.095
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -30.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -291.441429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.441429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.441429 (E_RNA)
where:
Base-Base interactions energy: -188.992
where: short stacking energy: -91.708
Base-Backbone interact. energy: 0.104
local terms energy: -102.552733
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -23.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -267.781913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.781913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.781913 (E_RNA)
where:
Base-Base interactions energy: -166.486
where: short stacking energy: -85.675
Base-Backbone interact. energy: -0.436
local terms energy: -100.859059
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -23.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -261.495853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.495853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.495853 (E_RNA)
where:
Base-Base interactions energy: -163.047
where: short stacking energy: -84.887
Base-Backbone interact. energy: -0.071
local terms energy: -98.378103
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -21.094
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: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -234.666018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.666018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.666018 (E_RNA)
where:
Base-Base interactions energy: -143.371
where: short stacking energy: -70.074
Base-Backbone interact. energy: 0.494
local terms energy: -91.789665
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -19.307
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: 87
Temperature: 1.200000
Total energy: -124.583234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.583234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.583234 (E_RNA)
where:
Base-Base interactions energy: -54.401
where: short stacking energy: -54.329
Base-Backbone interact. energy: -0.176
local terms energy: -70.006318
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -184.137647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.137647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.137647 (E_RNA)
where:
Base-Base interactions energy: -101.772
where: short stacking energy: -53.388
Base-Backbone interact. energy: -0.995
local terms energy: -81.370104
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -8.609
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: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -109.876449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.876449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.876449 (E_RNA)
where:
Base-Base interactions energy: -38.917
where: short stacking energy: -38.917
Base-Backbone interact. energy: -0.295
local terms energy: -70.664797
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -102.553773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.553773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.553773 (E_RNA)
where:
Base-Base interactions energy: -34.992
where: short stacking energy: -25.373
Base-Backbone interact. energy: 0.414
local terms energy: -67.976142
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -333.942784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.942784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.942784 (E_RNA)
where:
Base-Base interactions energy: -219.008
where: short stacking energy: -84.203
Base-Backbone interact. energy: 0.013
local terms energy: -114.947293
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -22.966
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -29.222
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: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -337.602108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.602108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.602108 (E_RNA)
where:
Base-Base interactions energy: -229.894
where: short stacking energy: -112.456
Base-Backbone interact. energy: -0.360
local terms energy: -107.348007
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -34.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -276.010192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.010192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.010192 (E_RNA)
where:
Base-Base interactions energy: -180.056
where: short stacking energy: -88.574
Base-Backbone interact. energy: -0.141
local terms energy: -95.813328
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -22.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -285.148178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.148178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.148178 (E_RNA)
where:
Base-Base interactions energy: -184.333
where: short stacking energy: -96.072
Base-Backbone interact. energy: -1.135
local terms energy: -99.679374
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -30.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -260.588150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.588150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.588150 (E_RNA)
where:
Base-Base interactions energy: -160.833
where: short stacking energy: -84.579
Base-Backbone interact. energy: -0.406
local terms energy: -99.349345
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -23.032
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: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -245.129276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.129276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.129276 (E_RNA)
where:
Base-Base interactions energy: -159.604
where: short stacking energy: -71.385
Base-Backbone interact. energy: -0.019
local terms energy: -85.505848
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -20.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -175.782462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.782462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.782462 (E_RNA)
where:
Base-Base interactions energy: -106.098
where: short stacking energy: -39.422
Base-Backbone interact. energy: -0.931
local terms energy: -68.752799
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -23.600
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -114.796593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.796593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.796593 (E_RNA)
where:
Base-Base interactions energy: -44.083
where: short stacking energy: -40.338
Base-Backbone interact. energy: -0.010
local terms energy: -70.703214
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -109.939921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.939921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.939921 (E_RNA)
where:
Base-Base interactions energy: -42.425
where: short stacking energy: -35.129
Base-Backbone interact. energy: 1.452
local terms energy: -68.966343
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -110.688997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.688997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.688997 (E_RNA)
where:
Base-Base interactions energy: -50.427
where: short stacking energy: -49.828
Base-Backbone interact. energy: -1.653
local terms energy: -58.609152
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -346.614839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.614839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.614839 (E_RNA)
where:
Base-Base interactions energy: -227.099
where: short stacking energy: -101.167
Base-Backbone interact. energy: -0.300
local terms energy: -119.215524
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -29.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -335.645809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.645809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.645809 (E_RNA)
where:
Base-Base interactions energy: -221.795
where: short stacking energy: -102.861
Base-Backbone interact. energy: -1.609
local terms energy: -112.241539
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -28.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -293.609106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.609106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.609106 (E_RNA)
where:
Base-Base interactions energy: -187.042
where: short stacking energy: -96.729
Base-Backbone interact. energy: -0.734
local terms energy: -105.832685
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -27.223
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: 89
Temperature: 1.050000
Total energy: -284.788962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.788962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.788962 (E_RNA)
where:
Base-Base interactions energy: -179.615
where: short stacking energy: -91.480
Base-Backbone interact. energy: -0.029
local terms energy: -105.144314
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -27.249
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: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -264.221564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.221564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.221564 (E_RNA)
where:
Base-Base interactions energy: -169.980
where: short stacking energy: -86.568
Base-Backbone interact. energy: -0.729
local terms energy: -93.512771
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -24.473
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: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -254.698433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.698433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.698433 (E_RNA)
where:
Base-Base interactions energy: -167.975
where: short stacking energy: -82.082
Base-Backbone interact. energy: 0.452
local terms energy: -87.175645
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -166.685979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.685979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.685979 (E_RNA)
where:
Base-Base interactions energy: -100.405
where: short stacking energy: -52.056
Base-Backbone interact. energy: -0.603
local terms energy: -65.678104
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -7.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -116.608857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.608857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.608857 (E_RNA)
where:
Base-Base interactions energy: -44.954
where: short stacking energy: -36.655
Base-Backbone interact. energy: -1.666
local terms energy: -69.988836
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: 0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -111.659245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.659245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.659245 (E_RNA)
where:
Base-Base interactions energy: -43.342
where: short stacking energy: -35.603
Base-Backbone interact. energy: -0.347
local terms energy: -67.970160
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -102.226833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.226833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.226833 (E_RNA)
where:
Base-Base interactions energy: -35.359
where: short stacking energy: -35.359
Base-Backbone interact. energy: 0.297
local terms energy: -67.164263
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: 2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -347.007113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.007113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.007113 (E_RNA)
where:
Base-Base interactions energy: -229.325
where: short stacking energy: -105.726
Base-Backbone interact. energy: -0.003
local terms energy: -117.679329
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -32.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -336.617440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.617440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.617440 (E_RNA)
where:
Base-Base interactions energy: -232.575
where: short stacking energy: -95.169
Base-Backbone interact. energy: -0.255
local terms energy: -103.787322
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -23.843
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -27.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -286.210693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.210693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.210693 (E_RNA)
where:
Base-Base interactions energy: -197.199
where: short stacking energy: -95.831
Base-Backbone interact. energy: -0.154
local terms energy: -88.858476
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -27.917
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: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -272.988491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.988491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.988491 (E_RNA)
where:
Base-Base interactions energy: -185.698
where: short stacking energy: -87.015
Base-Backbone interact. energy: -0.106
local terms energy: -87.184207
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -21.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -272.668629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.668629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.668629 (E_RNA)
where:
Base-Base interactions energy: -171.483
where: short stacking energy: -84.113
Base-Backbone interact. energy: -0.021
local terms energy: -101.164864
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -29.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -269.752313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.752313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.752313 (E_RNA)
where:
Base-Base interactions energy: -171.209
where: short stacking energy: -80.781
Base-Backbone interact. energy: -0.051
local terms energy: -98.492067
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -26.568
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: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -155.012605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.012605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.012605 (E_RNA)
where:
Base-Base interactions energy: -83.475
where: short stacking energy: -44.835
Base-Backbone interact. energy: -0.136
local terms energy: -71.401736
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -133.126316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.126316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.126316 (E_RNA)
where:
Base-Base interactions energy: -57.353
where: short stacking energy: -57.206
Base-Backbone interact. energy: 0.869
local terms energy: -76.642640
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -110.753584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.753584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.753584 (E_RNA)
where:
Base-Base interactions energy: -47.702
where: short stacking energy: -45.028
Base-Backbone interact. energy: -0.072
local terms energy: -62.979413
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -10.105
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: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -105.732094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.732094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.732094 (E_RNA)
where:
Base-Base interactions energy: -38.492
where: short stacking energy: -30.745
Base-Backbone interact. energy: -0.560
local terms energy: -66.680170
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -16.267
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: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -339.715255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.715255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.715255 (E_RNA)
where:
Base-Base interactions energy: -223.899
where: short stacking energy: -100.698
Base-Backbone interact. energy: -1.203
local terms energy: -114.613175
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -31.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -336.884085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.884085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.884085 (E_RNA)
where:
Base-Base interactions energy: -227.499
where: short stacking energy: -90.870
Base-Backbone interact. energy: -0.714
local terms energy: -108.670924
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -22.653
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -30.111
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: 91
Temperature: 1.000000
Total energy: -291.795709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.795709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.795709 (E_RNA)
where:
Base-Base interactions energy: -197.501
where: short stacking energy: -93.974
Base-Backbone interact. energy: -0.659
local terms energy: -93.634858
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -25.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -274.512036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.512036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.512036 (E_RNA)
where:
Base-Base interactions energy: -170.383
where: short stacking energy: -96.508
Base-Backbone interact. energy: -0.007
local terms energy: -104.121568
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -26.896
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: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -280.936560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.936560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.936560 (E_RNA)
where:
Base-Base interactions energy: -173.539
where: short stacking energy: -89.179
Base-Backbone interact. energy: -0.010
local terms energy: -107.387348
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -31.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -294.114971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.114971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.114971 (E_RNA)
where:
Base-Base interactions energy: -191.191
where: short stacking energy: -82.273
Base-Backbone interact. energy: -0.601
local terms energy: -102.323198
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -24.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -121.512662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.512662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.512662 (E_RNA)
where:
Base-Base interactions energy: -50.087
where: short stacking energy: -47.919
Base-Backbone interact. energy: -0.281
local terms energy: -71.143793
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -1.839
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: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -100.909015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.909015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.909015 (E_RNA)
where:
Base-Base interactions energy: -32.537
where: short stacking energy: -26.883
Base-Backbone interact. energy: -1.405
local terms energy: -66.967370
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -108.855110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.855110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.855110 (E_RNA)
where:
Base-Base interactions energy: -44.825
where: short stacking energy: -44.076
Base-Backbone interact. energy: -0.576
local terms energy: -63.454027
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: 1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -98.436758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.436758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.436758 (E_RNA)
where:
Base-Base interactions energy: -31.984
where: short stacking energy: -26.477
Base-Backbone interact. energy: 0.065
local terms energy: -66.518223
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -23.362
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -3.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -344.069847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.069847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.069847 (E_RNA)
where:
Base-Base interactions energy: -227.899
where: short stacking energy: -102.976
Base-Backbone interact. energy: -1.739
local terms energy: -114.431372
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -33.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -338.621277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.621277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.621277 (E_RNA)
where:
Base-Base interactions energy: -236.024
where: short stacking energy: -102.548
Base-Backbone interact. energy: -0.557
local terms energy: -102.041013
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -33.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -273.867233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.867233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.867233 (E_RNA)
where:
Base-Base interactions energy: -169.760
where: short stacking energy: -82.376
Base-Backbone interact. energy: -2.326
local terms energy: -101.780573
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -24.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -277.479693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.479693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.479693 (E_RNA)
where:
Base-Base interactions energy: -174.966
where: short stacking energy: -91.591
Base-Backbone interact. energy: -0.196
local terms energy: -102.317977
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -28.227
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: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -290.715456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.715456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.715456 (E_RNA)
where:
Base-Base interactions energy: -187.663
where: short stacking energy: -73.292
Base-Backbone interact. energy: -1.155
local terms energy: -101.897766
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -23.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -252.872373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.872373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.872373 (E_RNA)
where:
Base-Base interactions energy: -158.524
where: short stacking energy: -83.779
Base-Backbone interact. energy: -0.244
local terms energy: -94.104608
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -23.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -147.312573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.312573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.312573 (E_RNA)
where:
Base-Base interactions energy: -68.261
where: short stacking energy: -35.447
Base-Backbone interact. energy: -0.929
local terms energy: -78.122792
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -111.550515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.550515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.550515 (E_RNA)
where:
Base-Base interactions energy: -33.859
where: short stacking energy: -19.349
Base-Backbone interact. energy: -0.443
local terms energy: -77.247735
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -6.926
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: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -104.823649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.823649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.823649 (E_RNA)
where:
Base-Base interactions energy: -36.648
where: short stacking energy: -32.813
Base-Backbone interact. energy: -0.248
local terms energy: -67.927512
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -98.917859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.917859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.917859 (E_RNA)
where:
Base-Base interactions energy: -36.105
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.059
local terms energy: -62.753079
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -7.038
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: 93
Temperature: 0.900000
Total energy: -342.779966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.779966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.779966 (E_RNA)
where:
Base-Base interactions energy: -225.332
where: short stacking energy: -102.150
Base-Backbone interact. energy: 0.027
local terms energy: -117.475087
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -32.127
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: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -338.489103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.489103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.489103 (E_RNA)
where:
Base-Base interactions energy: -228.033
where: short stacking energy: -96.790
Base-Backbone interact. energy: -1.898
local terms energy: -108.558123
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -24.807
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -30.211
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: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -290.406329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.406329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.406329 (E_RNA)
where:
Base-Base interactions energy: -182.063
where: short stacking energy: -93.423
Base-Backbone interact. energy: -0.339
local terms energy: -108.004288
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -26.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -284.765750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.765750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.765750 (E_RNA)
where:
Base-Base interactions energy: -186.399
where: short stacking energy: -74.583
Base-Backbone interact. energy: -0.003
local terms energy: -98.363929
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -26.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -270.085672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.085672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.085672 (E_RNA)
where:
Base-Base interactions energy: -172.485
where: short stacking energy: -90.409
Base-Backbone interact. energy: -0.156
local terms energy: -97.445008
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -26.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -247.676716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.676716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.676716 (E_RNA)
where:
Base-Base interactions energy: -148.228
where: short stacking energy: -68.543
Base-Backbone interact. energy: -1.356
local terms energy: -98.092770
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -17.141
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: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -122.948231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.948231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.948231 (E_RNA)
where:
Base-Base interactions energy: -60.128
where: short stacking energy: -41.124
Base-Backbone interact. energy: -0.060
local terms energy: -62.760081
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -3.847
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: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -116.410384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.410384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.410384 (E_RNA)
where:
Base-Base interactions energy: -48.089
where: short stacking energy: -46.423
Base-Backbone interact. energy: -0.158
local terms energy: -68.163212
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -6.856
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: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -119.584077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.584077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.584077 (E_RNA)
where:
Base-Base interactions energy: -42.260
where: short stacking energy: -37.307
Base-Backbone interact. energy: -0.530
local terms energy: -76.794052
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -107.977439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.977439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.977439 (E_RNA)
where:
Base-Base interactions energy: -46.318
where: short stacking energy: -46.718
Base-Backbone interact. energy: 7.208
local terms energy: -68.867385
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -338.731772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.731772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.731772 (E_RNA)
where:
Base-Base interactions energy: -224.788
where: short stacking energy: -102.171
Base-Backbone interact. energy: -0.032
local terms energy: -113.911722
where:
bonds (distance) C4'-P energy: -20.752
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -27.975
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: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -347.177133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.177133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.177133 (E_RNA)
where:
Base-Base interactions energy: -225.278
where: short stacking energy: -98.804
Base-Backbone interact. energy: -2.433
local terms energy: -119.466213
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -24.602
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -30.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -314.246519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.246519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.246519 (E_RNA)
where:
Base-Base interactions energy: -207.264
where: short stacking energy: -93.534
Base-Backbone interact. energy: -0.251
local terms energy: -106.730812
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -29.171
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: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -280.557192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.557192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.557192 (E_RNA)
where:
Base-Base interactions energy: -175.050
where: short stacking energy: -86.713
Base-Backbone interact. energy: -0.714
local terms energy: -104.793226
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -24.633
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -26.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -276.057040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.057040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.057040 (E_RNA)
where:
Base-Base interactions energy: -169.894
where: short stacking energy: -83.780
Base-Backbone interact. energy: -0.821
local terms energy: -105.342644
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -23.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -253.773185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.773185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.773185 (E_RNA)
where:
Base-Base interactions energy: -163.501
where: short stacking energy: -84.932
Base-Backbone interact. energy: -0.005
local terms energy: -90.266918
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -10.788
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: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -135.325592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.325592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.325592 (E_RNA)
where:
Base-Base interactions energy: -55.189
where: short stacking energy: -52.475
Base-Backbone interact. energy: -0.023
local terms energy: -80.113761
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -119.732489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.732489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.732489 (E_RNA)
where:
Base-Base interactions energy: -48.746
where: short stacking energy: -37.249
Base-Backbone interact. energy: -0.231
local terms energy: -70.755610
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -12.540
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: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -109.719318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.719318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.719318 (E_RNA)
where:
Base-Base interactions energy: -44.927
where: short stacking energy: -36.594
Base-Backbone interact. energy: -0.230
local terms energy: -64.562918
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: 0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -115.827525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.827525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.827525 (E_RNA)
where:
Base-Base interactions energy: -37.510
where: short stacking energy: -35.439
Base-Backbone interact. energy: -0.138
local terms energy: -78.178870
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -343.745947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.745947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.745947 (E_RNA)
where:
Base-Base interactions energy: -231.927
where: short stacking energy: -110.649
Base-Backbone interact. energy: -0.244
local terms energy: -111.574979
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -32.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -337.100620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.100620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.100620 (E_RNA)
where:
Base-Base interactions energy: -220.361
where: short stacking energy: -87.794
Base-Backbone interact. energy: -1.034
local terms energy: -115.705273
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -33.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -334.980907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.980907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.980907 (E_RNA)
where:
Base-Base interactions energy: -224.627
where: short stacking energy: -82.833
Base-Backbone interact. energy: -2.022
local terms energy: -108.331820
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: -27.202
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: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -275.380253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.380253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.380253 (E_RNA)
where:
Base-Base interactions energy: -175.237
where: short stacking energy: -83.973
Base-Backbone interact. energy: -0.003
local terms energy: -100.140939
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -25.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -265.708670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.708670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.708670 (E_RNA)
where:
Base-Base interactions energy: -171.368
where: short stacking energy: -89.121
Base-Backbone interact. energy: -0.003
local terms energy: -94.337728
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -244.619280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.619280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.619280 (E_RNA)
where:
Base-Base interactions energy: -156.238
where: short stacking energy: -80.003
Base-Backbone interact. energy: -0.026
local terms energy: -88.355381
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -126.592161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.592161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.592161 (E_RNA)
where:
Base-Base interactions energy: -47.060
where: short stacking energy: -46.975
Base-Backbone interact. energy: -0.078
local terms energy: -79.453553
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -14.003
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: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -119.748839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.748839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.748839 (E_RNA)
where:
Base-Base interactions energy: -45.292
where: short stacking energy: -44.261
Base-Backbone interact. energy: -0.334
local terms energy: -74.122527
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -8.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -112.923174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.923174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.923174 (E_RNA)
where:
Base-Base interactions energy: -42.503
where: short stacking energy: -33.494
Base-Backbone interact. energy: -0.543
local terms energy: -69.877325
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -112.754191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.754191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.754191 (E_RNA)
where:
Base-Base interactions energy: -48.337
where: short stacking energy: -46.497
Base-Backbone interact. energy: -0.161
local terms energy: -64.256315
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -6.990
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: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -340.617255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.617255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.617255 (E_RNA)
where:
Base-Base interactions energy: -231.092
where: short stacking energy: -97.487
Base-Backbone interact. energy: -0.334
local terms energy: -109.191041
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -33.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -332.764209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.764209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.764209 (E_RNA)
where:
Base-Base interactions energy: -225.774
where: short stacking energy: -98.624
Base-Backbone interact. energy: -0.791
local terms energy: -106.199594
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -31.156
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: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -324.746804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.746804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.746804 (E_RNA)
where:
Base-Base interactions energy: -223.652
where: short stacking energy: -94.838
Base-Backbone interact. energy: -0.003
local terms energy: -101.092337
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -30.876
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: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -285.117201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.117201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.117201 (E_RNA)
where:
Base-Base interactions energy: -180.789
where: short stacking energy: -83.265
Base-Backbone interact. energy: -0.724
local terms energy: -103.604434
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -23.157
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: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -273.895221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.895221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.895221 (E_RNA)
where:
Base-Base interactions energy: -166.649
where: short stacking energy: -84.156
Base-Backbone interact. energy: -1.084
local terms energy: -106.162082
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -25.713
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: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -254.046430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.046430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.046430 (E_RNA)
where:
Base-Base interactions energy: -163.021
where: short stacking energy: -79.559
Base-Backbone interact. energy: -0.117
local terms energy: -90.908501
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -125.002700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.002700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.002700 (E_RNA)
where:
Base-Base interactions energy: -47.183
where: short stacking energy: -46.287
Base-Backbone interact. energy: 2.204
local terms energy: -80.023093
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -13.330
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: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -132.063507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.063507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.063507 (E_RNA)
where:
Base-Base interactions energy: -58.219
where: short stacking energy: -58.219
Base-Backbone interact. energy: -0.457
local terms energy: -73.387104
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -117.674543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.674543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.674543 (E_RNA)
where:
Base-Base interactions energy: -42.239
where: short stacking energy: -41.305
Base-Backbone interact. energy: -0.380
local terms energy: -75.055469
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -96.985367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.985367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.985367 (E_RNA)
where:
Base-Base interactions energy: -40.672
where: short stacking energy: -40.092
Base-Backbone interact. energy: -0.108
local terms energy: -56.205754
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: 0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -345.007479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.007479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.007479 (E_RNA)
where:
Base-Base interactions energy: -236.269
where: short stacking energy: -103.537
Base-Backbone interact. energy: -2.246
local terms energy: -106.492751
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -34.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -323.813049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.813049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.813049 (E_RNA)
where:
Base-Base interactions energy: -220.036
where: short stacking energy: -88.464
Base-Backbone interact. energy: -1.103
local terms energy: -102.674147
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -27.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -332.294284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.294284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.294284 (E_RNA)
where:
Base-Base interactions energy: -225.401
where: short stacking energy: -90.214
Base-Backbone interact. energy: -0.575
local terms energy: -106.318969
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -27.474
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: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -272.015238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.015238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.015238 (E_RNA)
where:
Base-Base interactions energy: -174.579
where: short stacking energy: -77.091
Base-Backbone interact. energy: -0.751
local terms energy: -96.684747
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -280.994479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.994479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.994479 (E_RNA)
where:
Base-Base interactions energy: -182.957
where: short stacking energy: -93.415
Base-Backbone interact. energy: -0.019
local terms energy: -98.018713
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -26.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -257.705363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.705363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.705363 (E_RNA)
where:
Base-Base interactions energy: -155.848
where: short stacking energy: -76.657
Base-Backbone interact. energy: 0.041
local terms energy: -101.898404
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -25.581
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -22.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -107.202931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.202931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.202931 (E_RNA)
where:
Base-Base interactions energy: -48.160
where: short stacking energy: -43.979
Base-Backbone interact. energy: -0.313
local terms energy: -58.729751
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -118.401959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.401959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.401959 (E_RNA)
where:
Base-Base interactions energy: -44.922
where: short stacking energy: -40.828
Base-Backbone interact. energy: -0.208
local terms energy: -73.271391
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -95.755101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.755101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.755101 (E_RNA)
where:
Base-Base interactions energy: -32.025
where: short stacking energy: -28.123
Base-Backbone interact. energy: 1.077
local terms energy: -64.806422
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -12.304
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: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -96.878197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.878197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.878197 (E_RNA)
where:
Base-Base interactions energy: -35.137
where: short stacking energy: -30.965
Base-Backbone interact. energy: -1.018
local terms energy: -60.723277
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -334.232664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.232664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.232664 (E_RNA)
where:
Base-Base interactions energy: -225.675
where: short stacking energy: -86.639
Base-Backbone interact. energy: -0.280
local terms energy: -108.278325
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -33.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -338.714459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.714459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.714459 (E_RNA)
where:
Base-Base interactions energy: -231.948
where: short stacking energy: -104.373
Base-Backbone interact. energy: -0.969
local terms energy: -105.797886
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -34.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -336.289578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.289578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.289578 (E_RNA)
where:
Base-Base interactions energy: -230.287
where: short stacking energy: -95.203
Base-Backbone interact. energy: -0.472
local terms energy: -105.529852
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -30.998
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: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -269.994975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.994975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.994975 (E_RNA)
where:
Base-Base interactions energy: -177.734
where: short stacking energy: -84.518
Base-Backbone interact. energy: -0.481
local terms energy: -91.779164
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -22.559
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: 98
Temperature: 1.100000
Total energy: -281.796416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.796416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.796416 (E_RNA)
where:
Base-Base interactions energy: -175.668
where: short stacking energy: -93.352
Base-Backbone interact. energy: -0.006
local terms energy: -106.122195
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -23.989
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -30.246
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: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -248.731830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.731830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.731830 (E_RNA)
where:
Base-Base interactions energy: -154.541
where: short stacking energy: -72.935
Base-Backbone interact. energy: -0.127
local terms energy: -94.063746
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -108.126574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.126574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.126574 (E_RNA)
where:
Base-Base interactions energy: -29.739
where: short stacking energy: -26.176
Base-Backbone interact. energy: -0.818
local terms energy: -77.569612
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -3.639
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: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -107.813754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.813754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.813754 (E_RNA)
where:
Base-Base interactions energy: -44.342
where: short stacking energy: -43.068
Base-Backbone interact. energy: -0.147
local terms energy: -63.324118
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -104.472864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.472864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.472864 (E_RNA)
where:
Base-Base interactions energy: -40.411
where: short stacking energy: -30.033
Base-Backbone interact. energy: -0.697
local terms energy: -63.364906
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: 3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -94.945370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.945370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.945370 (E_RNA)
where:
Base-Base interactions energy: -40.566
where: short stacking energy: -25.690
Base-Backbone interact. energy: -0.252
local terms energy: -54.126925
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: 2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -332.503479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.503479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.503479 (E_RNA)
where:
Base-Base interactions energy: -223.413
where: short stacking energy: -87.780
Base-Backbone interact. energy: -0.003
local terms energy: -109.087856
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -32.354
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: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -344.878871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.878871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.878871 (E_RNA)
where:
Base-Base interactions energy: -234.600
where: short stacking energy: -102.489
Base-Backbone interact. energy: -0.806
local terms energy: -109.472955
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -30.681
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: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -323.964588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.964588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.964588 (E_RNA)
where:
Base-Base interactions energy: -215.055
where: short stacking energy: -93.286
Base-Backbone interact. energy: -1.176
local terms energy: -107.734232
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -34.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -254.184169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.184169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.184169 (E_RNA)
where:
Base-Base interactions energy: -160.639
where: short stacking energy: -73.466
Base-Backbone interact. energy: -0.845
local terms energy: -92.700333
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -265.842816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.842816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.842816 (E_RNA)
where:
Base-Base interactions energy: -173.319
where: short stacking energy: -84.001
Base-Backbone interact. energy: -1.287
local terms energy: -91.236509
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -22.825
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: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -239.516941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.516941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.516941 (E_RNA)
where:
Base-Base interactions energy: -142.725
where: short stacking energy: -71.859
Base-Backbone interact. energy: 0.174
local terms energy: -96.965889
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -126.872617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.872617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.872617 (E_RNA)
where:
Base-Base interactions energy: -55.577
where: short stacking energy: -55.577
Base-Backbone interact. energy: 0.629
local terms energy: -71.924326
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -12.960
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: 8, replica: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -112.315286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.315286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.315286 (E_RNA)
where:
Base-Base interactions energy: -41.777
where: short stacking energy: -35.447
Base-Backbone interact. energy: -1.383
local terms energy: -69.155432
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -1.787
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: 99
Temperature: 1.300000
Total energy: -107.656245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.656245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.656245 (E_RNA)
where:
Base-Base interactions energy: -48.091
where: short stacking energy: -44.654
Base-Backbone interact. energy: -0.155
local terms energy: -59.410851
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -10.990
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -114.288131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.288131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.288131 (E_RNA)
where:
Base-Base interactions energy: -49.455
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.447
local terms energy: -64.386111
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -10.078
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: 100
Temperature: 0.900000
Total energy: -347.967298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.967298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.967298 (E_RNA)
where:
Base-Base interactions energy: -229.690
where: short stacking energy: -105.226
Base-Backbone interact. energy: -0.513
local terms energy: -117.764890
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -33.953
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: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -325.820384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.820384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.820384 (E_RNA)
where:
Base-Base interactions energy: -218.103
where: short stacking energy: -96.068
Base-Backbone interact. energy: -0.512
local terms energy: -107.205610
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -30.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -333.552760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.552760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.552760 (E_RNA)
where:
Base-Base interactions energy: -221.801
where: short stacking energy: -99.136
Base-Backbone interact. energy: 0.141
local terms energy: -111.892686
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -31.704
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: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -291.676408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.676408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.676408 (E_RNA)
where:
Base-Base interactions energy: -192.466
where: short stacking energy: -94.966
Base-Backbone interact. energy: -0.060
local terms energy: -99.150328
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -28.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -265.338850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.338850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.338850 (E_RNA)
where:
Base-Base interactions energy: -163.469
where: short stacking energy: -84.597
Base-Backbone interact. energy: -0.090
local terms energy: -101.780001
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -236.558610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.558610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.558610 (E_RNA)
where:
Base-Base interactions energy: -147.679
where: short stacking energy: -75.014
Base-Backbone interact. energy: -0.364
local terms energy: -88.515056
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -131.729108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.729108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.729108 (E_RNA)
where:
Base-Base interactions energy: -64.693
where: short stacking energy: -42.673
Base-Backbone interact. energy: -0.508
local terms energy: -66.528554
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -129.468250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.468250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.468250 (E_RNA)
where:
Base-Base interactions energy: -51.587
where: short stacking energy: -51.374
Base-Backbone interact. energy: -0.081
local terms energy: -77.800940
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -13.681
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: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -136.907701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.907701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.907701 (E_RNA)
where:
Base-Base interactions energy: -68.621
where: short stacking energy: -33.061
Base-Backbone interact. energy: -0.407
local terms energy: -67.880044
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -25.269
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: 1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -98.250947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.250947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.250947 (E_RNA)
where:
Base-Base interactions energy: -35.697
where: short stacking energy: -31.355
Base-Backbone interact. energy: -0.640
local terms energy: -61.913963
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -337.461002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.461002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.461002 (E_RNA)
where:
Base-Base interactions energy: -223.809
where: short stacking energy: -94.435
Base-Backbone interact. energy: -0.301
local terms energy: -113.350956
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -30.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -348.264272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.264272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.264272 (E_RNA)
where:
Base-Base interactions energy: -230.636
where: short stacking energy: -93.985
Base-Backbone interact. energy: -2.547
local terms energy: -115.081912
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -31.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -321.126122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.126122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.126122 (E_RNA)
where:
Base-Base interactions energy: -211.646
where: short stacking energy: -90.070
Base-Backbone interact. energy: -2.235
local terms energy: -107.244497
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -29.733
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: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -272.110906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.110906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.110906 (E_RNA)
where:
Base-Base interactions energy: -172.620
where: short stacking energy: -79.736
Base-Backbone interact. energy: -0.014
local terms energy: -99.477048
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -15.254
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: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -268.997363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.997363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.997363 (E_RNA)
where:
Base-Base interactions energy: -178.481
where: short stacking energy: -79.734
Base-Backbone interact. energy: -1.042
local terms energy: -89.474542
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -242.268497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.268497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.268497 (E_RNA)
where:
Base-Base interactions energy: -151.277
where: short stacking energy: -73.529
Base-Backbone interact. energy: -0.292
local terms energy: -90.699617
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -14.216
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: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -135.017672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.017672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.017672 (E_RNA)
where:
Base-Base interactions energy: -70.188
where: short stacking energy: -51.064
Base-Backbone interact. energy: -0.184
local terms energy: -64.645081
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -155.141486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.141486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.141486 (E_RNA)
where:
Base-Base interactions energy: -80.019
where: short stacking energy: -48.102
Base-Backbone interact. energy: -0.171
local terms energy: -74.951951
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -109.688948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.688948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.688948 (E_RNA)
where:
Base-Base interactions energy: -40.162
where: short stacking energy: -36.821
Base-Backbone interact. energy: -0.146
local terms energy: -69.380480
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -10.079
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: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -98.875168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.875168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.875168 (E_RNA)
where:
Base-Base interactions energy: -31.681
where: short stacking energy: -26.938
Base-Backbone interact. energy: -0.231
local terms energy: -66.962788
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -341.289514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.289514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.289514 (E_RNA)
where:
Base-Base interactions energy: -226.364
where: short stacking energy: -98.286
Base-Backbone interact. energy: -1.975
local terms energy: -112.950634
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -32.550
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: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -336.549052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.549052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.549052 (E_RNA)
where:
Base-Base interactions energy: -227.014
where: short stacking energy: -96.221
Base-Backbone interact. energy: -0.642
local terms energy: -108.892684
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -26.179
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -27.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -321.239659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.239659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.239659 (E_RNA)
where:
Base-Base interactions energy: -214.202
where: short stacking energy: -88.011
Base-Backbone interact. energy: -0.314
local terms energy: -106.723549
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -31.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -269.054374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.054374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.054374 (E_RNA)
where:
Base-Base interactions energy: -168.813
where: short stacking energy: -81.178
Base-Backbone interact. energy: -0.602
local terms energy: -99.639336
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -26.739
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: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -257.464853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.464853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.464853 (E_RNA)
where:
Base-Base interactions energy: -164.217
where: short stacking energy: -78.458
Base-Backbone interact. energy: -0.009
local terms energy: -93.238593
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -22.677
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: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -280.137323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.137323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.137323 (E_RNA)
where:
Base-Base interactions energy: -181.791
where: short stacking energy: -86.507
Base-Backbone interact. energy: -0.252
local terms energy: -98.094689
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -26.429
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: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -130.967758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.967758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.967758 (E_RNA)
where:
Base-Base interactions energy: -46.421
where: short stacking energy: -44.715
Base-Backbone interact. energy: -1.092
local terms energy: -83.455036
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -121.080156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.080156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.080156 (E_RNA)
where:
Base-Base interactions energy: -53.499
where: short stacking energy: -35.504
Base-Backbone interact. energy: -0.119
local terms energy: -67.462990
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -3.596
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: 102
Temperature: 1.300000
Total energy: -103.631977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.631977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.631977 (E_RNA)
where:
Base-Base interactions energy: -46.089
where: short stacking energy: -42.783
Base-Backbone interact. energy: 2.214
local terms energy: -59.756903
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -99.628496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.628496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.628496 (E_RNA)
where:
Base-Base interactions energy: -31.728
where: short stacking energy: -30.783
Base-Backbone interact. energy: -0.306
local terms energy: -67.594474
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: 0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -344.489083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.489083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.489083 (E_RNA)
where:
Base-Base interactions energy: -230.544
where: short stacking energy: -102.311
Base-Backbone interact. energy: -1.849
local terms energy: -112.095830
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -31.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -316.009260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.009260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.009260 (E_RNA)
where:
Base-Base interactions energy: -219.656
where: short stacking energy: -85.170
Base-Backbone interact. energy: -0.074
local terms energy: -96.279405
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -27.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -322.512634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.512634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.512634 (E_RNA)
where:
Base-Base interactions energy: -215.478
where: short stacking energy: -89.542
Base-Backbone interact. energy: -0.005
local terms energy: -107.030497
where:
bonds (distance) C4'-P energy: -21.649
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -28.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -269.223921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.223921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.223921 (E_RNA)
where:
Base-Base interactions energy: -171.089
where: short stacking energy: -84.196
Base-Backbone interact. energy: -0.856
local terms energy: -97.279088
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -25.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -268.932095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.932095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.932095 (E_RNA)
where:
Base-Base interactions energy: -174.167
where: short stacking energy: -93.035
Base-Backbone interact. energy: -0.244
local terms energy: -94.520228
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -256.466917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.466917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.466917 (E_RNA)
where:
Base-Base interactions energy: -164.593
where: short stacking energy: -75.753
Base-Backbone interact. energy: -1.038
local terms energy: -90.835844
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -21.525
flat angles P-C4'-P energy: -12.090
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: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -152.712765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.712765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.712765 (E_RNA)
where:
Base-Base interactions energy: -66.869
where: short stacking energy: -66.752
Base-Backbone interact. energy: -0.113
local terms energy: -85.730437
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -113.005207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.005207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.005207 (E_RNA)
where:
Base-Base interactions energy: -43.327
where: short stacking energy: -36.295
Base-Backbone interact. energy: -0.039
local terms energy: -69.640086
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -107.109587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.109587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.109587 (E_RNA)
where:
Base-Base interactions energy: -34.813
where: short stacking energy: -34.350
Base-Backbone interact. energy: -0.021
local terms energy: -72.274873
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -3.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -108.066021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.066021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.066021 (E_RNA)
where:
Base-Base interactions energy: -38.789
where: short stacking energy: -34.287
Base-Backbone interact. energy: -0.964
local terms energy: -68.313138
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -0.293
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: 104
Temperature: 0.900000
Total energy: -346.624367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.624367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.624367 (E_RNA)
where:
Base-Base interactions energy: -230.629
where: short stacking energy: -100.223
Base-Backbone interact. energy: -0.177
local terms energy: -115.819100
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -29.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -326.561976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.561976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.561976 (E_RNA)
where:
Base-Base interactions energy: -225.225
where: short stacking energy: -91.794
Base-Backbone interact. energy: -0.416
local terms energy: -100.921543
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -29.413
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: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -324.570442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.570442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.570442 (E_RNA)
where:
Base-Base interactions energy: -214.528
where: short stacking energy: -88.838
Base-Backbone interact. energy: -0.449
local terms energy: -109.592908
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -28.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -278.141285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.141285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.141285 (E_RNA)
where:
Base-Base interactions energy: -184.132
where: short stacking energy: -98.801
Base-Backbone interact. energy: -0.125
local terms energy: -93.884048
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -25.187
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: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -259.647031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.647031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.647031 (E_RNA)
where:
Base-Base interactions energy: -168.681
where: short stacking energy: -77.699
Base-Backbone interact. energy: -1.674
local terms energy: -89.291867
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -13.355
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: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -256.326475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.326475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.326475 (E_RNA)
where:
Base-Base interactions energy: -161.723
where: short stacking energy: -75.295
Base-Backbone interact. energy: -0.645
local terms energy: -93.958186
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -22.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -124.036753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.036753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.036753 (E_RNA)
where:
Base-Base interactions energy: -52.734
where: short stacking energy: -38.203
Base-Backbone interact. energy: -0.248
local terms energy: -71.054897
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -147.381343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.381343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.381343 (E_RNA)
where:
Base-Base interactions energy: -66.295
where: short stacking energy: -39.140
Base-Backbone interact. energy: -0.710
local terms energy: -80.376395
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -110.713086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.713086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.713086 (E_RNA)
where:
Base-Base interactions energy: -49.299
where: short stacking energy: -42.233
Base-Backbone interact. energy: -0.174
local terms energy: -61.239648
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -8.171
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: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -108.485435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.485435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.485435 (E_RNA)
where:
Base-Base interactions energy: -43.234
where: short stacking energy: -42.708
Base-Backbone interact. energy: -0.262
local terms energy: -64.989764
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -13.142
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: 105
Temperature: 0.900000
Total energy: -348.255381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.255381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.255381 (E_RNA)
where:
Base-Base interactions energy: -240.801
where: short stacking energy: -103.494
Base-Backbone interact. energy: -1.074
local terms energy: -106.380415
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -19.013
tors. eta vs tors. theta energy: -29.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -328.039186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.039186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.039186 (E_RNA)
where:
Base-Base interactions energy: -223.671
where: short stacking energy: -92.907
Base-Backbone interact. energy: -0.523
local terms energy: -103.845414
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -30.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -331.923922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.923922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.923922 (E_RNA)
where:
Base-Base interactions energy: -226.025
where: short stacking energy: -100.595
Base-Backbone interact. energy: -0.013
local terms energy: -105.885299
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -26.059
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -31.197
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: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -270.343996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.343996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.343996 (E_RNA)
where:
Base-Base interactions energy: -175.254
where: short stacking energy: -87.332
Base-Backbone interact. energy: -0.333
local terms energy: -94.756019
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -271.073892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.073892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.073892 (E_RNA)
where:
Base-Base interactions energy: -168.392
where: short stacking energy: -85.099
Base-Backbone interact. energy: -0.376
local terms energy: -102.306194
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -27.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -254.935720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.935720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.935720 (E_RNA)
where:
Base-Base interactions energy: -166.077
where: short stacking energy: -81.356
Base-Backbone interact. energy: -1.655
local terms energy: -87.204036
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -21.042
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: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -154.624267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.624267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.624267 (E_RNA)
where:
Base-Base interactions energy: -79.194
where: short stacking energy: -54.375
Base-Backbone interact. energy: 0.005
local terms energy: -75.435678
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -174.967327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.967327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.967327 (E_RNA)
where:
Base-Base interactions energy: -103.973
where: short stacking energy: -50.530
Base-Backbone interact. energy: 0.159
local terms energy: -71.153374
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -9.326
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -10.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -123.462125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.462125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.462125 (E_RNA)
where:
Base-Base interactions energy: -69.682
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.571
local terms energy: -53.208393
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: 6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -95.269372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.269372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.269372 (E_RNA)
where:
Base-Base interactions energy: -38.783
where: short stacking energy: -38.277
Base-Backbone interact. energy: -0.660
local terms energy: -55.826607
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: 2.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -327.438714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.438714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.438714 (E_RNA)
where:
Base-Base interactions energy: -222.892
where: short stacking energy: -80.553
Base-Backbone interact. energy: -1.502
local terms energy: -103.044181
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -30.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -338.682980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.682980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.682980 (E_RNA)
where:
Base-Base interactions energy: -228.273
where: short stacking energy: -103.023
Base-Backbone interact. energy: -0.037
local terms energy: -110.373206
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -31.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -327.690455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.690455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.690455 (E_RNA)
where:
Base-Base interactions energy: -220.672
where: short stacking energy: -96.156
Base-Backbone interact. energy: -0.058
local terms energy: -106.960220
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -30.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -275.712457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.712457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.712457 (E_RNA)
where:
Base-Base interactions energy: -185.986
where: short stacking energy: -85.045
Base-Backbone interact. energy: -0.255
local terms energy: -89.470848
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -22.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -263.641584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.641584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.641584 (E_RNA)
where:
Base-Base interactions energy: -160.861
where: short stacking energy: -88.669
Base-Backbone interact. energy: -0.921
local terms energy: -101.859201
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -23.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -266.381511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.381511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.381511 (E_RNA)
where:
Base-Base interactions energy: -172.139
where: short stacking energy: -81.018
Base-Backbone interact. energy: -0.038
local terms energy: -94.203986
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -142.390802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.390802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.390802 (E_RNA)
where:
Base-Base interactions energy: -67.891
where: short stacking energy: -35.313
Base-Backbone interact. energy: -0.227
local terms energy: -74.273132
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -182.785964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.785964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.785964 (E_RNA)
where:
Base-Base interactions energy: -109.928
where: short stacking energy: -51.548
Base-Backbone interact. energy: -0.188
local terms energy: -72.670520
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -13.362
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: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -104.618699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.618699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.618699 (E_RNA)
where:
Base-Base interactions energy: -40.971
where: short stacking energy: -37.981
Base-Backbone interact. energy: 1.194
local terms energy: -64.841717
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: 5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -99.509572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.509572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.509572 (E_RNA)
where:
Base-Base interactions energy: -40.587
where: short stacking energy: -31.456
Base-Backbone interact. energy: 1.128
local terms energy: -60.051037
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -7.862
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: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -336.743341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.743341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.743341 (E_RNA)
where:
Base-Base interactions energy: -225.252
where: short stacking energy: -91.742
Base-Backbone interact. energy: -0.083
local terms energy: -111.408148
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -34.001
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: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -334.420946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.420946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.420946 (E_RNA)
where:
Base-Base interactions energy: -216.321
where: short stacking energy: -99.185
Base-Backbone interact. energy: -0.444
local terms energy: -117.656101
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -32.840
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: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -332.889030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.889030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.889030 (E_RNA)
where:
Base-Base interactions energy: -221.420
where: short stacking energy: -105.143
Base-Backbone interact. energy: -0.026
local terms energy: -111.442296
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -24.949
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -33.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -281.395615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.395615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.395615 (E_RNA)
where:
Base-Base interactions energy: -180.234
where: short stacking energy: -92.736
Base-Backbone interact. energy: -0.200
local terms energy: -100.962288
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -25.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -263.493673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.493673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.493673 (E_RNA)
where:
Base-Base interactions energy: -163.750
where: short stacking energy: -81.078
Base-Backbone interact. energy: -0.297
local terms energy: -99.446793
where:
bonds (distance) C4'-P energy: -23.206
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -247.886817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.886817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.886817 (E_RNA)
where:
Base-Base interactions energy: -153.939
where: short stacking energy: -80.232
Base-Backbone interact. energy: -0.238
local terms energy: -93.709746
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -23.686
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: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -121.714982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.714982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.714982 (E_RNA)
where:
Base-Base interactions energy: -43.269
where: short stacking energy: -41.727
Base-Backbone interact. energy: -0.373
local terms energy: -78.073692
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -12.518
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: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -144.694031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.694031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.694031 (E_RNA)
where:
Base-Base interactions energy: -73.487
where: short stacking energy: -40.330
Base-Backbone interact. energy: -0.268
local terms energy: -70.938501
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -9.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -130.990261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.990261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.990261 (E_RNA)
where:
Base-Base interactions energy: -73.048
where: short stacking energy: -32.449
Base-Backbone interact. energy: -0.219
local terms energy: -57.722875
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -13.249
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: 107
Temperature: 1.350000
Total energy: -101.679445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.679445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.679445 (E_RNA)
where:
Base-Base interactions energy: -28.959
where: short stacking energy: -27.380
Base-Backbone interact. energy: -1.982
local terms energy: -70.738454
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -332.400786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.400786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.400786 (E_RNA)
where:
Base-Base interactions energy: -222.793
where: short stacking energy: -91.131
Base-Backbone interact. energy: -0.008
local terms energy: -109.600292
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -32.075
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: 108
Temperature: 0.950000
Total energy: -341.828424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.828424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.828424 (E_RNA)
where:
Base-Base interactions energy: -232.615
where: short stacking energy: -101.321
Base-Backbone interact. energy: -1.382
local terms energy: -107.831323
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -31.862
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: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -327.610116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.610116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.610116 (E_RNA)
where:
Base-Base interactions energy: -218.240
where: short stacking energy: -97.130
Base-Backbone interact. energy: -1.381
local terms energy: -107.989150
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -28.760
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: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -268.405383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.405383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.405383 (E_RNA)
where:
Base-Base interactions energy: -163.976
where: short stacking energy: -83.077
Base-Backbone interact. energy: -0.371
local terms energy: -104.057956
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -22.255
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: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -261.591557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.591557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.591557 (E_RNA)
where:
Base-Base interactions energy: -165.023
where: short stacking energy: -85.280
Base-Backbone interact. energy: 0.612
local terms energy: -97.180523
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -23.693
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: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -246.520432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.520432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.520432 (E_RNA)
where:
Base-Base interactions energy: -161.872
where: short stacking energy: -63.793
Base-Backbone interact. energy: -0.213
local terms energy: -84.435735
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -13.497
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: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -118.261800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.261800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.261800 (E_RNA)
where:
Base-Base interactions energy: -54.174
where: short stacking energy: -49.860
Base-Backbone interact. energy: -0.652
local terms energy: -63.436234
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -118.081604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.081604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.081604 (E_RNA)
where:
Base-Base interactions energy: -46.574
where: short stacking energy: -44.792
Base-Backbone interact. energy: -0.140
local terms energy: -71.368223
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -108.937417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.937417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.937417 (E_RNA)
where:
Base-Base interactions energy: -48.033
where: short stacking energy: -37.278
Base-Backbone interact. energy: 0.191
local terms energy: -61.095693
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: 0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -95.712010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.712010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.712010 (E_RNA)
where:
Base-Base interactions energy: -31.931
where: short stacking energy: -26.525
Base-Backbone interact. energy: 1.692
local terms energy: -65.473106
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: 3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -341.994175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.994175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.994175 (E_RNA)
where:
Base-Base interactions energy: -231.016
where: short stacking energy: -95.281
Base-Backbone interact. energy: -0.389
local terms energy: -110.589103
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -17.629
tors. eta vs tors. theta energy: -30.625
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: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -342.137305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.137305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.137305 (E_RNA)
where:
Base-Base interactions energy: -218.757
where: short stacking energy: -92.865
Base-Backbone interact. energy: -0.994
local terms energy: -122.386276
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -25.270
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -31.147
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: 109
Temperature: 1.000000
Total energy: -323.949284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.949284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.949284 (E_RNA)
where:
Base-Base interactions energy: -214.176
where: short stacking energy: -97.601
Base-Backbone interact. energy: -0.752
local terms energy: -109.021264
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -29.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -271.638100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.638100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.638100 (E_RNA)
where:
Base-Base interactions energy: -172.187
where: short stacking energy: -86.932
Base-Backbone interact. energy: -0.040
local terms energy: -99.411669
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -24.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -260.965349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.965349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.965349 (E_RNA)
where:
Base-Base interactions energy: -168.968
where: short stacking energy: -89.836
Base-Backbone interact. energy: -0.330
local terms energy: -91.666441
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -22.996
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -25.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -249.465436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.465436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.465436 (E_RNA)
where:
Base-Base interactions energy: -165.568
where: short stacking energy: -80.175
Base-Backbone interact. energy: 0.750
local terms energy: -84.648159
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -18.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -175.755426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.755426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.755426 (E_RNA)
where:
Base-Base interactions energy: -108.038
where: short stacking energy: -55.483
Base-Backbone interact. energy: -0.344
local terms energy: -67.374028
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -4.813
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: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -124.147886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.147886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.147886 (E_RNA)
where:
Base-Base interactions energy: -56.650
where: short stacking energy: -37.283
Base-Backbone interact. energy: -0.230
local terms energy: -67.268390
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -129.016327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.016327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.016327 (E_RNA)
where:
Base-Base interactions energy: -48.378
where: short stacking energy: -49.069
Base-Backbone interact. energy: -0.670
local terms energy: -79.968570
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -12.518
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: 109
Temperature: 1.350000
Total energy: -104.515406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.515406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.515406 (E_RNA)
where:
Base-Base interactions energy: -36.910
where: short stacking energy: -31.162
Base-Backbone interact. energy: -0.274
local terms energy: -67.331264
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -3.435
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: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -341.794766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.794766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.794766 (E_RNA)
where:
Base-Base interactions energy: -235.624
where: short stacking energy: -94.267
Base-Backbone interact. energy: -0.395
local terms energy: -105.775143
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -28.728
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: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -338.478676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.478676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.478676 (E_RNA)
where:
Base-Base interactions energy: -225.053
where: short stacking energy: -96.579
Base-Backbone interact. energy: -0.005
local terms energy: -113.420119
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -29.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -329.700140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.700140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.700140 (E_RNA)
where:
Base-Base interactions energy: -224.849
where: short stacking energy: -89.866
Base-Backbone interact. energy: -0.440
local terms energy: -104.411516
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -30.155
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: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -262.561507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.561507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.561507 (E_RNA)
where:
Base-Base interactions energy: -166.162
where: short stacking energy: -82.929
Base-Backbone interact. energy: -0.123
local terms energy: -96.277198
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -24.980
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: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -264.416666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.416666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.416666 (E_RNA)
where:
Base-Base interactions energy: -165.878
where: short stacking energy: -78.059
Base-Backbone interact. energy: 0.262
local terms energy: -98.801368
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -27.110
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: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -261.534754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.534754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.534754 (E_RNA)
where:
Base-Base interactions energy: -168.477
where: short stacking energy: -81.603
Base-Backbone interact. energy: -0.159
local terms energy: -92.898689
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -21.213
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -22.552
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: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -145.601449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.601449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.601449 (E_RNA)
where:
Base-Base interactions energy: -67.797
where: short stacking energy: -36.070
Base-Backbone interact. energy: -0.071
local terms energy: -77.734061
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -175.031800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.031800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.031800 (E_RNA)
where:
Base-Base interactions energy: -89.587
where: short stacking energy: -49.718
Base-Backbone interact. energy: -0.104
local terms energy: -85.340812
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -16.082
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: 9, replica: 2
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -109.470397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.470397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.470397 (E_RNA)
where:
Base-Base interactions energy: -47.125
where: short stacking energy: -43.693
Base-Backbone interact. energy: 1.202
local terms energy: -63.547513
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -13.666
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: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -107.096445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.096445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.096445 (E_RNA)
where:
Base-Base interactions energy: -40.934
where: short stacking energy: -38.020
Base-Backbone interact. energy: -1.295
local terms energy: -64.866811
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -335.271474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.271474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.271474 (E_RNA)
where:
Base-Base interactions energy: -225.508
where: short stacking energy: -90.256
Base-Backbone interact. energy: -0.255
local terms energy: -109.509185
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -31.745
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: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -335.096757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.096757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.096757 (E_RNA)
where:
Base-Base interactions energy: -220.953
where: short stacking energy: -103.784
Base-Backbone interact. energy: -0.001
local terms energy: -114.143413
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -33.638
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: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -325.209782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.209782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.209782 (E_RNA)
where:
Base-Base interactions energy: -226.704
where: short stacking energy: -100.840
Base-Backbone interact. energy: -0.380
local terms energy: -98.126067
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -29.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -277.239326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.239326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.239326 (E_RNA)
where:
Base-Base interactions energy: -170.747
where: short stacking energy: -90.728
Base-Backbone interact. energy: 0.404
local terms energy: -106.896363
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -24.998
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: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -260.527042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.527042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.527042 (E_RNA)
where:
Base-Base interactions energy: -161.193
where: short stacking energy: -78.414
Base-Backbone interact. energy: -0.675
local terms energy: -98.659706
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -26.664
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: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -250.638694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.638694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.638694 (E_RNA)
where:
Base-Base interactions energy: -162.509
where: short stacking energy: -81.378
Base-Backbone interact. energy: -0.006
local terms energy: -88.123382
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -153.460649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.460649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.460649 (E_RNA)
where:
Base-Base interactions energy: -87.503
where: short stacking energy: -48.200
Base-Backbone interact. energy: -0.290
local terms energy: -65.668089
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -3.146
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -135.227719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.227719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.227719 (E_RNA)
where:
Base-Base interactions energy: -64.474
where: short stacking energy: -59.252
Base-Backbone interact. energy: -0.963
local terms energy: -69.791035
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -13.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -167.455717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.455717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.455717 (E_RNA)
where:
Base-Base interactions energy: -98.381
where: short stacking energy: -57.243
Base-Backbone interact. energy: -1.026
local terms energy: -68.048656
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -96.774389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.774389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.774389 (E_RNA)
where:
Base-Base interactions energy: -26.277
where: short stacking energy: -26.277
Base-Backbone interact. energy: -0.236
local terms energy: -70.261640
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -339.584379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.584379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.584379 (E_RNA)
where:
Base-Base interactions energy: -231.789
where: short stacking energy: -93.122
Base-Backbone interact. energy: -0.097
local terms energy: -107.698281
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -22.659
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -30.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -331.981666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.981666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.981666 (E_RNA)
where:
Base-Base interactions energy: -217.685
where: short stacking energy: -103.860
Base-Backbone interact. energy: -0.630
local terms energy: -113.666744
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -31.853
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: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -289.519332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.519332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.519332 (E_RNA)
where:
Base-Base interactions energy: -183.764
where: short stacking energy: -98.475
Base-Backbone interact. energy: -0.002
local terms energy: -105.753869
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -27.253
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: 112
Temperature: 1.050000
Total energy: -311.407966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.407966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.407966 (E_RNA)
where:
Base-Base interactions energy: -206.138
where: short stacking energy: -86.930
Base-Backbone interact. energy: -0.337
local terms energy: -104.933715
where:
bonds (distance) C4'-P energy: -22.159
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -256.299729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.299729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.299729 (E_RNA)
where:
Base-Base interactions energy: -165.003
where: short stacking energy: -82.154
Base-Backbone interact. energy: -0.008
local terms energy: -91.287925
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -255.478385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.478385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.478385 (E_RNA)
where:
Base-Base interactions energy: -171.032
where: short stacking energy: -85.096
Base-Backbone interact. energy: -0.593
local terms energy: -83.852908
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -26.126
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: 7, replica: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -130.000091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.000091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.000091 (E_RNA)
where:
Base-Base interactions energy: -59.848
where: short stacking energy: -50.388
Base-Backbone interact. energy: -0.004
local terms energy: -70.148789
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -118.303677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.303677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.303677 (E_RNA)
where:
Base-Base interactions energy: -56.540
where: short stacking energy: -29.629
Base-Backbone interact. energy: -0.135
local terms energy: -61.628135
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: 2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -124.243653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.243653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.243653 (E_RNA)
where:
Base-Base interactions energy: -56.225
where: short stacking energy: -46.584
Base-Backbone interact. energy: -0.160
local terms energy: -67.859193
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -101.105647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.105647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.105647 (E_RNA)
where:
Base-Base interactions energy: -42.303
where: short stacking energy: -32.690
Base-Backbone interact. energy: -0.419
local terms energy: -58.383452
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -15.643
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: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -338.591192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.591192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.591192 (E_RNA)
where:
Base-Base interactions energy: -233.125
where: short stacking energy: -89.462
Base-Backbone interact. energy: -0.003
local terms energy: -105.462939
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -29.425
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: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -339.587967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.587967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.587967 (E_RNA)
where:
Base-Base interactions energy: -232.729
where: short stacking energy: -102.519
Base-Backbone interact. energy: -0.043
local terms energy: -106.816398
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -29.760
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: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -287.769052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.769052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.769052 (E_RNA)
where:
Base-Base interactions energy: -178.641
where: short stacking energy: -97.188
Base-Backbone interact. energy: 0.307
local terms energy: -109.434683
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -29.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -325.311564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.311564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.311564 (E_RNA)
where:
Base-Base interactions energy: -216.254
where: short stacking energy: -96.964
Base-Backbone interact. energy: -0.383
local terms energy: -108.674816
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -28.562
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: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -275.044415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.044415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.044415 (E_RNA)
where:
Base-Base interactions energy: -183.187
where: short stacking energy: -90.858
Base-Backbone interact. energy: -0.133
local terms energy: -91.724364
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -236.153197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.153197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.153197 (E_RNA)
where:
Base-Base interactions energy: -150.331
where: short stacking energy: -74.330
Base-Backbone interact. energy: -1.038
local terms energy: -84.783857
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -18.695
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: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -129.032917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.032917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.032917 (E_RNA)
where:
Base-Base interactions energy: -42.445
where: short stacking energy: -40.070
Base-Backbone interact. energy: -0.364
local terms energy: -86.224106
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -109.698482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.698482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.698482 (E_RNA)
where:
Base-Base interactions energy: -40.038
where: short stacking energy: -31.830
Base-Backbone interact. energy: 1.184
local terms energy: -70.844246
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -118.215723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.215723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.215723 (E_RNA)
where:
Base-Base interactions energy: -46.747
where: short stacking energy: -38.751
Base-Backbone interact. energy: -0.495
local terms energy: -70.973858
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -12.797
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: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -115.309479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.309479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.309479 (E_RNA)
where:
Base-Base interactions energy: -36.744
where: short stacking energy: -35.169
Base-Backbone interact. energy: -0.673
local terms energy: -77.892056
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -332.988413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.988413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.988413 (E_RNA)
where:
Base-Base interactions energy: -220.123
where: short stacking energy: -92.678
Base-Backbone interact. energy: -2.855
local terms energy: -110.010781
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -22.632
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -30.551
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: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -336.499167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.499167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.499167 (E_RNA)
where:
Base-Base interactions energy: -233.588
where: short stacking energy: -100.035
Base-Backbone interact. energy: -0.059
local terms energy: -102.852944
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -34.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -333.634567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.634567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.634567 (E_RNA)
where:
Base-Base interactions energy: -224.546
where: short stacking energy: -92.283
Base-Backbone interact. energy: -0.963
local terms energy: -108.126446
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -29.465
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: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -276.063845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.063845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.063845 (E_RNA)
where:
Base-Base interactions energy: -172.265
where: short stacking energy: -88.140
Base-Backbone interact. energy: -0.421
local terms energy: -103.377845
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -22.029
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -21.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -274.749086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.749086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.749086 (E_RNA)
where:
Base-Base interactions energy: -176.202
where: short stacking energy: -92.612
Base-Backbone interact. energy: -0.394
local terms energy: -98.152737
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -261.533923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.533923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.533923 (E_RNA)
where:
Base-Base interactions energy: -166.155
where: short stacking energy: -84.431
Base-Backbone interact. energy: -0.841
local terms energy: -94.537117
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -120.737052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.737052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.737052 (E_RNA)
where:
Base-Base interactions energy: -54.259
where: short stacking energy: -31.350
Base-Backbone interact. energy: -0.271
local terms energy: -66.207443
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: 0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -127.846644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.846644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.846644 (E_RNA)
where:
Base-Base interactions energy: -53.653
where: short stacking energy: -53.653
Base-Backbone interact. energy: -0.137
local terms energy: -74.057018
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -110.641063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.641063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.641063 (E_RNA)
where:
Base-Base interactions energy: -35.256
where: short stacking energy: -34.123
Base-Backbone interact. energy: 0.127
local terms energy: -75.511682
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -94.854782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.854782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.854782 (E_RNA)
where:
Base-Base interactions energy: -38.382
where: short stacking energy: -35.236
Base-Backbone interact. energy: 1.197
local terms energy: -57.670293
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: 1.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -359.554733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.554733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.554733 (E_RNA)
where:
Base-Base interactions energy: -234.860
where: short stacking energy: -105.666
Base-Backbone interact. energy: -2.022
local terms energy: -122.672442
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: -32.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -344.693953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.693953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.693953 (E_RNA)
where:
Base-Base interactions energy: -230.634
where: short stacking energy: -103.566
Base-Backbone interact. energy: -0.407
local terms energy: -113.653095
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -32.738
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: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -326.475391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.475391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.475391 (E_RNA)
where:
Base-Base interactions energy: -220.430
where: short stacking energy: -83.376
Base-Backbone interact. energy: -0.347
local terms energy: -105.697998
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -28.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -275.232230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.232230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.232230 (E_RNA)
where:
Base-Base interactions energy: -181.754
where: short stacking energy: -81.835
Base-Backbone interact. energy: -0.460
local terms energy: -93.018311
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -24.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -257.278443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.278443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.278443 (E_RNA)
where:
Base-Base interactions energy: -161.336
where: short stacking energy: -74.289
Base-Backbone interact. energy: -1.201
local terms energy: -94.741335
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -25.007
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: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -259.123460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.123460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.123460 (E_RNA)
where:
Base-Base interactions energy: -161.569
where: short stacking energy: -82.384
Base-Backbone interact. energy: -1.546
local terms energy: -96.008863
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -24.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -126.753608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.753608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.753608 (E_RNA)
where:
Base-Base interactions energy: -54.859
where: short stacking energy: -47.820
Base-Backbone interact. energy: -0.174
local terms energy: -71.720665
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -8.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -109.900485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.900485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.900485 (E_RNA)
where:
Base-Base interactions energy: -45.201
where: short stacking energy: -30.702
Base-Backbone interact. energy: -0.222
local terms energy: -64.477186
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: 2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -95.627626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.627626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.627626 (E_RNA)
where:
Base-Base interactions energy: -31.089
where: short stacking energy: -28.492
Base-Backbone interact. energy: -0.123
local terms energy: -64.415697
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -113.531573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.531573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.531573 (E_RNA)
where:
Base-Base interactions energy: -43.587
where: short stacking energy: -36.249
Base-Backbone interact. energy: 0.377
local terms energy: -70.321103
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -14.717
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: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -343.503207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.503207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.503207 (E_RNA)
where:
Base-Base interactions energy: -228.426
where: short stacking energy: -99.312
Base-Backbone interact. energy: -0.706
local terms energy: -114.370289
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -32.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -337.841873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.841873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.841873 (E_RNA)
where:
Base-Base interactions energy: -224.439
where: short stacking energy: -98.838
Base-Backbone interact. energy: -1.213
local terms energy: -112.189512
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -32.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -323.021056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.021056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.021056 (E_RNA)
where:
Base-Base interactions energy: -229.669
where: short stacking energy: -103.622
Base-Backbone interact. energy: -0.239
local terms energy: -93.112410
where:
bonds (distance) C4'-P energy: -7.960
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -29.212
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: 116
Temperature: 1.050000
Total energy: -284.698790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.698790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.698790 (E_RNA)
where:
Base-Base interactions energy: -176.524
where: short stacking energy: -83.488
Base-Backbone interact. energy: -1.089
local terms energy: -107.085919
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -26.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -254.811507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.811507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.811507 (E_RNA)
where:
Base-Base interactions energy: -162.641
where: short stacking energy: -81.202
Base-Backbone interact. energy: -0.202
local terms energy: -91.968245
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -263.096480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.096480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.096480 (E_RNA)
where:
Base-Base interactions energy: -166.693
where: short stacking energy: -77.904
Base-Backbone interact. energy: -0.542
local terms energy: -95.861914
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -24.660
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: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -141.036881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.036881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.036881 (E_RNA)
where:
Base-Base interactions energy: -75.344
where: short stacking energy: -44.971
Base-Backbone interact. energy: -0.238
local terms energy: -65.455142
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -6.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -111.036043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.036043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.036043 (E_RNA)
where:
Base-Base interactions energy: -41.008
where: short stacking energy: -41.008
Base-Backbone interact. energy: -1.531
local terms energy: -68.496886
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -114.391527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.391527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.391527 (E_RNA)
where:
Base-Base interactions energy: -45.174
where: short stacking energy: -41.089
Base-Backbone interact. energy: -0.727
local terms energy: -68.491217
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -114.573077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.573077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.573077 (E_RNA)
where:
Base-Base interactions energy: -41.911
where: short stacking energy: -32.913
Base-Backbone interact. energy: 1.109
local terms energy: -73.770767
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -341.535020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.535020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.535020 (E_RNA)
where:
Base-Base interactions energy: -223.206
where: short stacking energy: -98.057
Base-Backbone interact. energy: 0.728
local terms energy: -119.057529
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -25.327
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -30.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -333.907804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.907804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.907804 (E_RNA)
where:
Base-Base interactions energy: -229.983
where: short stacking energy: -90.705
Base-Backbone interact. energy: -0.037
local terms energy: -103.887804
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -27.790
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: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -328.793459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.793459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.793459 (E_RNA)
where:
Base-Base interactions energy: -227.173
where: short stacking energy: -103.939
Base-Backbone interact. energy: -0.253
local terms energy: -101.367266
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -31.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -269.031437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.031437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.031437 (E_RNA)
where:
Base-Base interactions energy: -173.984
where: short stacking energy: -75.770
Base-Backbone interact. energy: -0.112
local terms energy: -94.935012
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -23.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -260.009992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.009992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.009992 (E_RNA)
where:
Base-Base interactions energy: -155.641
where: short stacking energy: -73.152
Base-Backbone interact. energy: -0.233
local terms energy: -104.135919
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -23.214
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -22.289
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: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -253.581856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.581856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.581856 (E_RNA)
where:
Base-Base interactions energy: -164.470
where: short stacking energy: -79.579
Base-Backbone interact. energy: -0.327
local terms energy: -88.785005
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -12.114
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: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -133.452709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.452709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.452709 (E_RNA)
where:
Base-Base interactions energy: -70.096
where: short stacking energy: -49.216
Base-Backbone interact. energy: -0.393
local terms energy: -62.963063
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -121.724392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.724392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.724392 (E_RNA)
where:
Base-Base interactions energy: -58.496
where: short stacking energy: -54.963
Base-Backbone interact. energy: -0.050
local terms energy: -63.178906
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -103.361140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.361140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.361140 (E_RNA)
where:
Base-Base interactions energy: -37.043
where: short stacking energy: -30.092
Base-Backbone interact. energy: -0.528
local terms energy: -65.790095
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -101.089626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.089626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.089626 (E_RNA)
where:
Base-Base interactions energy: -39.517
where: short stacking energy: -38.290
Base-Backbone interact. energy: -0.314
local terms energy: -61.258768
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -332.139840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.139840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.139840 (E_RNA)
where:
Base-Base interactions energy: -224.523
where: short stacking energy: -92.428
Base-Backbone interact. energy: -0.046
local terms energy: -107.570598
where:
bonds (distance) C4'-P energy: -22.824
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -31.032
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: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -338.324911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.324911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.324911 (E_RNA)
where:
Base-Base interactions energy: -234.961
where: short stacking energy: -105.711
Base-Backbone interact. energy: -0.688
local terms energy: -102.675752
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -30.913
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: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -333.753916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.753916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.753916 (E_RNA)
where:
Base-Base interactions energy: -223.910
where: short stacking energy: -101.377
Base-Backbone interact. energy: -0.600
local terms energy: -109.243377
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -28.305
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: 118
Temperature: 1.050000
Total energy: -265.932496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.932496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.932496 (E_RNA)
where:
Base-Base interactions energy: -169.460
where: short stacking energy: -84.991
Base-Backbone interact. energy: -0.999
local terms energy: -95.474091
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -23.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -263.937265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.937265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.937265 (E_RNA)
where:
Base-Base interactions energy: -166.538
where: short stacking energy: -81.965
Base-Backbone interact. energy: -0.026
local terms energy: -97.373487
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -22.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -262.899865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.899865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.899865 (E_RNA)
where:
Base-Base interactions energy: -166.764
where: short stacking energy: -88.530
Base-Backbone interact. energy: -0.252
local terms energy: -95.883954
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -24.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -136.690245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.690245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.690245 (E_RNA)
where:
Base-Base interactions energy: -62.063
where: short stacking energy: -62.063
Base-Backbone interact. energy: 0.124
local terms energy: -74.751602
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -13.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -115.223756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.223756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.223756 (E_RNA)
where:
Base-Base interactions energy: -33.355
where: short stacking energy: -32.164
Base-Backbone interact. energy: -0.078
local terms energy: -81.791183
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -6.951
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: 118
Temperature: 1.300000
Total energy: -111.220924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.220924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.220924 (E_RNA)
where:
Base-Base interactions energy: -51.837
where: short stacking energy: -34.952
Base-Backbone interact. energy: -0.006
local terms energy: -59.377895
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: 2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -105.604791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.604791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.604791 (E_RNA)
where:
Base-Base interactions energy: -45.187
where: short stacking energy: -44.161
Base-Backbone interact. energy: 0.447
local terms energy: -60.864625
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -3.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -344.687446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.687446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.687446 (E_RNA)
where:
Base-Base interactions energy: -227.794
where: short stacking energy: -96.440
Base-Backbone interact. energy: -0.252
local terms energy: -116.641350
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -26.149
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -32.335
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: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -327.456331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.456331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.456331 (E_RNA)
where:
Base-Base interactions energy: -220.981
where: short stacking energy: -94.356
Base-Backbone interact. energy: -0.046
local terms energy: -106.429540
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -27.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -341.966571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.966571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.966571 (E_RNA)
where:
Base-Base interactions energy: -228.759
where: short stacking energy: -100.139
Base-Backbone interact. energy: -0.044
local terms energy: -113.162989
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -33.134
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: 119
Temperature: 1.050000
Total energy: -280.801297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.801297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.801297 (E_RNA)
where:
Base-Base interactions energy: -184.311
where: short stacking energy: -84.397
Base-Backbone interact. energy: 1.733
local terms energy: -98.223762
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -26.725
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: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -256.920576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.920576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.920576 (E_RNA)
where:
Base-Base interactions energy: -164.087
where: short stacking energy: -78.178
Base-Backbone interact. energy: -0.115
local terms energy: -92.718848
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -23.291
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: 119
Temperature: 1.150000
Total energy: -262.591878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.591878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.591878 (E_RNA)
where:
Base-Base interactions energy: -173.199
where: short stacking energy: -88.014
Base-Backbone interact. energy: -0.718
local terms energy: -88.674351
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -22.283
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: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -129.329141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.329141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.329141 (E_RNA)
where:
Base-Base interactions energy: -50.930
where: short stacking energy: -46.924
Base-Backbone interact. energy: -0.162
local terms energy: -78.237660
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -119.466238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.466238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.466238 (E_RNA)
where:
Base-Base interactions energy: -52.623
where: short stacking energy: -42.713
Base-Backbone interact. energy: -0.218
local terms energy: -66.624539
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -106.323476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.323476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.323476 (E_RNA)
where:
Base-Base interactions energy: -33.722
where: short stacking energy: -31.699
Base-Backbone interact. energy: -0.085
local terms energy: -72.516698
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -115.471187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.471187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.471187 (E_RNA)
where:
Base-Base interactions energy: -55.536
where: short stacking energy: -38.551
Base-Backbone interact. energy: 4.565
local terms energy: -64.500059
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -7.508
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: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -335.371549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.371549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.371549 (E_RNA)
where:
Base-Base interactions energy: -222.178
where: short stacking energy: -96.562
Base-Backbone interact. energy: -0.766
local terms energy: -112.427404
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -25.518
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -29.707
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: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -334.436839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.436839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.436839 (E_RNA)
where:
Base-Base interactions energy: -227.954
where: short stacking energy: -91.326
Base-Backbone interact. energy: -0.165
local terms energy: -106.318134
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -24.529
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -30.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -343.880269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.880269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.880269 (E_RNA)
where:
Base-Base interactions energy: -231.718
where: short stacking energy: -101.553
Base-Backbone interact. energy: -1.467
local terms energy: -110.695723
where:
bonds (distance) C4'-P energy: -17.581
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -33.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -293.497052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.497052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.497052 (E_RNA)
where:
Base-Base interactions energy: -183.258
where: short stacking energy: -97.040
Base-Backbone interact. energy: -0.331
local terms energy: -109.907379
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -21.333
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -30.689
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: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -252.220068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.220068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.220068 (E_RNA)
where:
Base-Base interactions energy: -158.878
where: short stacking energy: -75.076
Base-Backbone interact. energy: -0.326
local terms energy: -93.016530
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -21.896
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: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -248.411714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.411714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.411714 (E_RNA)
where:
Base-Base interactions energy: -160.581
where: short stacking energy: -77.676
Base-Backbone interact. energy: -0.677
local terms energy: -87.154067
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -22.189
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -113.779193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.779193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.779193 (E_RNA)
where:
Base-Base interactions energy: -39.292
where: short stacking energy: -37.117
Base-Backbone interact. energy: -0.129
local terms energy: -74.358545
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -119.515199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.515199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.515199 (E_RNA)
where:
Base-Base interactions energy: -43.478
where: short stacking energy: -41.902
Base-Backbone interact. energy: -0.313
local terms energy: -75.725019
where:
bonds (distance) C4'-P energy: -23.099
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -14.801
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: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -113.783145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.783145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.783145 (E_RNA)
where:
Base-Base interactions energy: -54.377
where: short stacking energy: -35.178
Base-Backbone interact. energy: -0.359
local terms energy: -59.047118
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -105.785380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.785380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.785380 (E_RNA)
where:
Base-Base interactions energy: -41.896
where: short stacking energy: -26.291
Base-Backbone interact. energy: -0.203
local terms energy: -63.686106
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: 2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -343.908319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.908319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.908319 (E_RNA)
where:
Base-Base interactions energy: -228.719
where: short stacking energy: -97.778
Base-Backbone interact. energy: -0.776
local terms energy: -114.413713
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -29.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -335.424217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.424217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.424217 (E_RNA)
where:
Base-Base interactions energy: -222.076
where: short stacking energy: -109.469
Base-Backbone interact. energy: -1.118
local terms energy: -112.229700
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -32.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -333.843548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.843548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.843548 (E_RNA)
where:
Base-Base interactions energy: -219.056
where: short stacking energy: -89.361
Base-Backbone interact. energy: -0.069
local terms energy: -114.718936
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -24.356
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -30.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -297.485189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.485189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.485189 (E_RNA)
where:
Base-Base interactions energy: -190.152
where: short stacking energy: -100.958
Base-Backbone interact. energy: -0.389
local terms energy: -106.944117
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -27.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -262.631423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.631423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.631423 (E_RNA)
where:
Base-Base interactions energy: -173.509
where: short stacking energy: -92.186
Base-Backbone interact. energy: -0.040
local terms energy: -89.082403
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -244.920540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.920540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.920540 (E_RNA)
where:
Base-Base interactions energy: -156.598
where: short stacking energy: -72.558
Base-Backbone interact. energy: -0.943
local terms energy: -87.380176
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -130.919446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.919446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.919446 (E_RNA)
where:
Base-Base interactions energy: -57.645
where: short stacking energy: -46.821
Base-Backbone interact. energy: -0.212
local terms energy: -73.061905
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -8.865
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: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -106.915631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.915631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.915631 (E_RNA)
where:
Base-Base interactions energy: -37.344
where: short stacking energy: -31.228
Base-Backbone interact. energy: -0.213
local terms energy: -69.358232
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -13.785
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: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -104.372749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.372749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.372749 (E_RNA)
where:
Base-Base interactions energy: -42.193
where: short stacking energy: -37.668
Base-Backbone interact. energy: -0.509
local terms energy: -61.671300
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -9.541
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -106.200117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.200117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.200117 (E_RNA)
where:
Base-Base interactions energy: -39.579
where: short stacking energy: -38.273
Base-Backbone interact. energy: -0.197
local terms energy: -66.423850
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -349.148261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.148261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.148261 (E_RNA)
where:
Base-Base interactions energy: -230.374
where: short stacking energy: -95.946
Base-Backbone interact. energy: -2.503
local terms energy: -116.270527
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -28.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -348.936887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.936887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.936887 (E_RNA)
where:
Base-Base interactions energy: -232.050
where: short stacking energy: -100.562
Base-Backbone interact. energy: -0.579
local terms energy: -116.308595
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -29.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -327.166720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.166720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.166720 (E_RNA)
where:
Base-Base interactions energy: -223.215
where: short stacking energy: -97.109
Base-Backbone interact. energy: -0.003
local terms energy: -103.948480
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: -29.876
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: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -284.930871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.930871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.930871 (E_RNA)
where:
Base-Base interactions energy: -185.964
where: short stacking energy: -95.970
Base-Backbone interact. energy: -0.032
local terms energy: -98.933890
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -28.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -260.752262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.752262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.752262 (E_RNA)
where:
Base-Base interactions energy: -167.860
where: short stacking energy: -77.056
Base-Backbone interact. energy: -0.041
local terms energy: -92.851051
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -12.260
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: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -265.408098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.408098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.408098 (E_RNA)
where:
Base-Base interactions energy: -167.064
where: short stacking energy: -85.469
Base-Backbone interact. energy: -0.007
local terms energy: -98.336754
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -24.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -123.536742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.536742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.536742 (E_RNA)
where:
Base-Base interactions energy: -50.802
where: short stacking energy: -49.655
Base-Backbone interact. energy: -0.142
local terms energy: -72.592762
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -114.939921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.939921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.939921 (E_RNA)
where:
Base-Base interactions energy: -43.306
where: short stacking energy: -43.306
Base-Backbone interact. energy: 1.988
local terms energy: -73.621306
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -102.154238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.154238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.154238 (E_RNA)
where:
Base-Base interactions energy: -41.052
where: short stacking energy: -39.809
Base-Backbone interact. energy: -0.252
local terms energy: -60.849430
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -118.386014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.386014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.386014 (E_RNA)
where:
Base-Base interactions energy: -52.350
where: short stacking energy: -52.350
Base-Backbone interact. energy: -0.231
local terms energy: -65.805340
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -345.183918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.183918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.183918 (E_RNA)
where:
Base-Base interactions energy: -234.944
where: short stacking energy: -100.199
Base-Backbone interact. energy: -1.380
local terms energy: -108.860545
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -26.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -323.863160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.863160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.863160 (E_RNA)
where:
Base-Base interactions energy: -217.456
where: short stacking energy: -88.415
Base-Backbone interact. energy: -0.105
local terms energy: -106.302072
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -25.394
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -26.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -330.572741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.572741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.572741 (E_RNA)
where:
Base-Base interactions energy: -227.039
where: short stacking energy: -91.232
Base-Backbone interact. energy: -1.214
local terms energy: -102.319621
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -25.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -264.009461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.009461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.009461 (E_RNA)
where:
Base-Base interactions energy: -170.016
where: short stacking energy: -82.461
Base-Backbone interact. energy: -0.262
local terms energy: -93.731473
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -266.323917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.323917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.323917 (E_RNA)
where:
Base-Base interactions energy: -177.365
where: short stacking energy: -84.737
Base-Backbone interact. energy: -0.005
local terms energy: -88.953898
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -24.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -270.337744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.337744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.337744 (E_RNA)
where:
Base-Base interactions energy: -173.855
where: short stacking energy: -90.228
Base-Backbone interact. energy: -0.000
local terms energy: -96.482361
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -24.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -120.719973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.719973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.719973 (E_RNA)
where:
Base-Base interactions energy: -51.079
where: short stacking energy: -45.429
Base-Backbone interact. energy: -0.088
local terms energy: -69.552945
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -121.715951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.715951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.715951 (E_RNA)
where:
Base-Base interactions energy: -50.752
where: short stacking energy: -50.752
Base-Backbone interact. energy: 0.593
local terms energy: -71.557228
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -6.423
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: 9, replica: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -113.888069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.888069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.888069 (E_RNA)
where:
Base-Base interactions energy: -46.485
where: short stacking energy: -36.939
Base-Backbone interact. energy: -1.120
local terms energy: -66.282983
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -107.888763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.888763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.888763 (E_RNA)
where:
Base-Base interactions energy: -39.379
where: short stacking energy: -39.379
Base-Backbone interact. energy: -0.490
local terms energy: -68.019582
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -6.852
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: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -344.573792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.573792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.573792 (E_RNA)
where:
Base-Base interactions energy: -226.671
where: short stacking energy: -106.312
Base-Backbone interact. energy: -0.247
local terms energy: -117.656047
where:
bonds (distance) C4'-P energy: -22.690
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -34.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -325.058947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.058947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.058947 (E_RNA)
where:
Base-Base interactions energy: -214.071
where: short stacking energy: -87.824
Base-Backbone interact. energy: -0.313
local terms energy: -110.675526
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -30.714
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: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -333.211390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.211390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.211390 (E_RNA)
where:
Base-Base interactions energy: -227.741
where: short stacking energy: -101.350
Base-Backbone interact. energy: -0.498
local terms energy: -104.972005
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -32.584
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: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -269.246232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.246232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.246232 (E_RNA)
where:
Base-Base interactions energy: -167.643
where: short stacking energy: -86.981
Base-Backbone interact. energy: -0.429
local terms energy: -101.174416
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -22.357
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: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -270.744046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.744046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.744046 (E_RNA)
where:
Base-Base interactions energy: -167.116
where: short stacking energy: -85.490
Base-Backbone interact. energy: -0.035
local terms energy: -103.593339
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -29.630
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: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -250.958828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.958828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.958828 (E_RNA)
where:
Base-Base interactions energy: -160.031
where: short stacking energy: -80.079
Base-Backbone interact. energy: -0.307
local terms energy: -90.620619
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -17.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -127.866730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.866730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.866730 (E_RNA)
where:
Base-Base interactions energy: -50.473
where: short stacking energy: -46.995
Base-Backbone interact. energy: -0.222
local terms energy: -77.171623
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -7.427
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: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -109.590806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.590806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.590806 (E_RNA)
where:
Base-Base interactions energy: -43.471
where: short stacking energy: -43.471
Base-Backbone interact. energy: -0.457
local terms energy: -65.662248
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -20.085
flat angles P-C4'-P energy: -1.765
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -112.617448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.617448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.617448 (E_RNA)
where:
Base-Base interactions energy: -49.830
where: short stacking energy: -40.140
Base-Backbone interact. energy: -0.243
local terms energy: -62.544742
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -104.726629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.726629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.726629 (E_RNA)
where:
Base-Base interactions energy: -45.379
where: short stacking energy: -34.782
Base-Backbone interact. energy: -0.441
local terms energy: -58.906649
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: 5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -344.310361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.310361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.310361 (E_RNA)
where:
Base-Base interactions energy: -225.466
where: short stacking energy: -100.898
Base-Backbone interact. energy: -1.621
local terms energy: -117.223839
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -25.621
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -32.817
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: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -328.535364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.535364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.535364 (E_RNA)
where:
Base-Base interactions energy: -226.895
where: short stacking energy: -94.729
Base-Backbone interact. energy: -0.085
local terms energy: -101.555383
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -28.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -337.653755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.653755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.653755 (E_RNA)
where:
Base-Base interactions energy: -229.335
where: short stacking energy: -96.061
Base-Backbone interact. energy: -1.136
local terms energy: -107.182897
where:
bonds (distance) C4'-P energy: -24.173
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -27.760
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: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -273.170526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.170526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.170526 (E_RNA)
where:
Base-Base interactions energy: -174.285
where: short stacking energy: -87.389
Base-Backbone interact. energy: -0.229
local terms energy: -98.655886
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -23.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -265.627258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.627258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.627258 (E_RNA)
where:
Base-Base interactions energy: -168.396
where: short stacking energy: -82.133
Base-Backbone interact. energy: -0.244
local terms energy: -96.987511
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -256.270763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.270763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.270763 (E_RNA)
where:
Base-Base interactions energy: -161.019
where: short stacking energy: -74.454
Base-Backbone interact. energy: -0.633
local terms energy: -94.618566
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -115.793881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.793881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.793881 (E_RNA)
where:
Base-Base interactions energy: -44.750
where: short stacking energy: -44.750
Base-Backbone interact. energy: -0.155
local terms energy: -70.888407
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -13.210
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: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -179.567777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.567777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.567777 (E_RNA)
where:
Base-Base interactions energy: -92.417
where: short stacking energy: -64.844
Base-Backbone interact. energy: -0.065
local terms energy: -87.086055
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -12.055
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: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -107.491701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.491701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.491701 (E_RNA)
where:
Base-Base interactions energy: -39.129
where: short stacking energy: -32.447
Base-Backbone interact. energy: 0.542
local terms energy: -68.905026
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -6.403
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: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -103.017836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.017836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.017836 (E_RNA)
where:
Base-Base interactions energy: -45.521
where: short stacking energy: -19.488
Base-Backbone interact. energy: -0.493
local terms energy: -57.004094
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: 2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -333.616388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.616388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.616388 (E_RNA)
where:
Base-Base interactions energy: -224.852
where: short stacking energy: -93.379
Base-Backbone interact. energy: -0.104
local terms energy: -108.660375
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -31.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -334.835909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.835909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.835909 (E_RNA)
where:
Base-Base interactions energy: -226.530
where: short stacking energy: -96.072
Base-Backbone interact. energy: -0.895
local terms energy: -107.410876
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -30.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -340.928789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.928789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.928789 (E_RNA)
where:
Base-Base interactions energy: -234.587
where: short stacking energy: -98.122
Base-Backbone interact. energy: -0.421
local terms energy: -105.920878
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -29.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -262.765635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.765635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.765635 (E_RNA)
where:
Base-Base interactions energy: -164.108
where: short stacking energy: -75.005
Base-Backbone interact. energy: -0.201
local terms energy: -98.455992
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -262.132106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.132106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.132106 (E_RNA)
where:
Base-Base interactions energy: -167.143
where: short stacking energy: -83.193
Base-Backbone interact. energy: -1.226
local terms energy: -93.763878
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -245.979126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.979126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.979126 (E_RNA)
where:
Base-Base interactions energy: -155.704
where: short stacking energy: -80.569
Base-Backbone interact. energy: -0.716
local terms energy: -89.559230
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -137.123389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.123389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.123389 (E_RNA)
where:
Base-Base interactions energy: -66.940
where: short stacking energy: -36.636
Base-Backbone interact. energy: -0.943
local terms energy: -69.240330
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -5.249
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: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -116.253431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.253431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.253431 (E_RNA)
where:
Base-Base interactions energy: -36.594
where: short stacking energy: -35.246
Base-Backbone interact. energy: -0.321
local terms energy: -79.338028
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -22.970
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -3.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -108.122398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.122398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.122398 (E_RNA)
where:
Base-Base interactions energy: -40.851
where: short stacking energy: -34.211
Base-Backbone interact. energy: -0.246
local terms energy: -67.025807
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -108.672604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.672604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.672604 (E_RNA)
where:
Base-Base interactions energy: -44.779
where: short stacking energy: -32.753
Base-Backbone interact. energy: -0.125
local terms energy: -63.768942
where:
bonds (distance) C4'-P energy: -23.233
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -4.167
tors. eta vs tors. theta energy: 2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -335.665342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.665342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.665342 (E_RNA)
where:
Base-Base interactions energy: -226.221
where: short stacking energy: -95.498
Base-Backbone interact. energy: -0.687
local terms energy: -108.756843
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -28.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -337.035611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.035611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.035611 (E_RNA)
where:
Base-Base interactions energy: -220.036
where: short stacking energy: -99.974
Base-Backbone interact. energy: -0.683
local terms energy: -116.316693
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -34.856
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: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -329.770797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.770797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.770797 (E_RNA)
where:
Base-Base interactions energy: -233.349
where: short stacking energy: -101.054
Base-Backbone interact. energy: -0.574
local terms energy: -95.847345
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -30.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -271.136105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.136105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.136105 (E_RNA)
where:
Base-Base interactions energy: -176.005
where: short stacking energy: -89.414
Base-Backbone interact. energy: -0.528
local terms energy: -94.603467
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -258.438603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.438603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.438603 (E_RNA)
where:
Base-Base interactions energy: -161.181
where: short stacking energy: -75.975
Base-Backbone interact. energy: -0.187
local terms energy: -97.070654
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -24.001
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -22.294
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: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -261.929411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.929411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.929411 (E_RNA)
where:
Base-Base interactions energy: -158.710
where: short stacking energy: -88.393
Base-Backbone interact. energy: -0.099
local terms energy: -103.120753
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -24.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -128.180337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.180337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.180337 (E_RNA)
where:
Base-Base interactions energy: -45.390
where: short stacking energy: -45.390
Base-Backbone interact. energy: -0.004
local terms energy: -82.786949
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -9.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -119.147886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.147886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.147886 (E_RNA)
where:
Base-Base interactions energy: -61.924
where: short stacking energy: -39.276
Base-Backbone interact. energy: -0.157
local terms energy: -57.067141
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -19.921
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -94.440998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.440998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.440998 (E_RNA)
where:
Base-Base interactions energy: -45.018
where: short stacking energy: -45.018
Base-Backbone interact. energy: -0.204
local terms energy: -49.218648
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -7.682
flat angles P-C4'-P energy: -7.160
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: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -105.577343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.577343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.577343 (E_RNA)
where:
Base-Base interactions energy: -41.708
where: short stacking energy: -41.876
Base-Backbone interact. energy: -0.190
local terms energy: -63.678794
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -350.776995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.776995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.776995 (E_RNA)
where:
Base-Base interactions energy: -233.741
where: short stacking energy: -101.412
Base-Backbone interact. energy: -0.278
local terms energy: -116.757943
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -33.662
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: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -329.855870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.855870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.855870 (E_RNA)
where:
Base-Base interactions energy: -226.664
where: short stacking energy: -91.263
Base-Backbone interact. energy: -0.017
local terms energy: -103.175575
where:
bonds (distance) C4'-P energy: -23.695
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -27.858
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: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -336.474165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.474165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.474165 (E_RNA)
where:
Base-Base interactions energy: -223.773
where: short stacking energy: -104.342
Base-Backbone interact. energy: -0.043
local terms energy: -112.658128
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -30.494
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: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -281.844767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.844767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.844767 (E_RNA)
where:
Base-Base interactions energy: -185.239
where: short stacking energy: -100.352
Base-Backbone interact. energy: 0.539
local terms energy: -97.144624
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -24.758
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: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -273.531749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.531749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.531749 (E_RNA)
where:
Base-Base interactions energy: -187.342
where: short stacking energy: -90.026
Base-Backbone interact. energy: 0.961
local terms energy: -87.150893
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -19.880
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -20.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -266.896612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.896612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.896612 (E_RNA)
where:
Base-Base interactions energy: -173.738
where: short stacking energy: -86.782
Base-Backbone interact. energy: 0.967
local terms energy: -94.126245
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -26.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -157.057583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.057583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.057583 (E_RNA)
where:
Base-Base interactions energy: -82.458
where: short stacking energy: -52.803
Base-Backbone interact. energy: 0.030
local terms energy: -74.629902
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -112.914100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.914100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.914100 (E_RNA)
where:
Base-Base interactions energy: -50.091
where: short stacking energy: -42.311
Base-Backbone interact. energy: -0.048
local terms energy: -62.775178
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -11.174
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -105.459472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.459472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.459472 (E_RNA)
where:
Base-Base interactions energy: -33.328
where: short stacking energy: -33.328
Base-Backbone interact. energy: -0.567
local terms energy: -71.564566
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -112.658629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.658629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.658629 (E_RNA)
where:
Base-Base interactions energy: -45.647
where: short stacking energy: -39.739
Base-Backbone interact. energy: 0.393
local terms energy: -67.405509
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -341.818288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.818288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.818288 (E_RNA)
where:
Base-Base interactions energy: -225.999
where: short stacking energy: -99.159
Base-Backbone interact. energy: -1.209
local terms energy: -114.609874
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -23.657
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -32.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -321.693228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.693228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.693228 (E_RNA)
where:
Base-Base interactions energy: -219.551
where: short stacking energy: -101.663
Base-Backbone interact. energy: -0.002
local terms energy: -102.140285
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -28.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -321.188340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.188340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.188340 (E_RNA)
where:
Base-Base interactions energy: -217.545
where: short stacking energy: -86.767
Base-Backbone interact. energy: -0.126
local terms energy: -103.517726
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -25.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -274.015004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.015004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.015004 (E_RNA)
where:
Base-Base interactions energy: -172.461
where: short stacking energy: -93.760
Base-Backbone interact. energy: -0.365
local terms energy: -101.189581
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -22.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -262.476055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.476055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.476055 (E_RNA)
where:
Base-Base interactions energy: -175.390
where: short stacking energy: -68.004
Base-Backbone interact. energy: 1.695
local terms energy: -88.780909
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -11.756
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: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -257.440505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.440505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.440505 (E_RNA)
where:
Base-Base interactions energy: -161.841
where: short stacking energy: -85.086
Base-Backbone interact. energy: -0.722
local terms energy: -94.877881
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -24.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -119.980600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.980600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.980600 (E_RNA)
where:
Base-Base interactions energy: -52.877
where: short stacking energy: -37.460
Base-Backbone interact. energy: -0.174
local terms energy: -66.929576
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -112.454016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.454016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.454016 (E_RNA)
where:
Base-Base interactions energy: -38.048
where: short stacking energy: -36.739
Base-Backbone interact. energy: -0.484
local terms energy: -73.922740
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -120.568279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.568279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.568279 (E_RNA)
where:
Base-Base interactions energy: -52.075
where: short stacking energy: -39.583
Base-Backbone interact. energy: -0.362
local terms energy: -68.131035
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -12.774
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: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -100.540922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.540922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.540922 (E_RNA)
where:
Base-Base interactions energy: -34.500
where: short stacking energy: -33.154
Base-Backbone interact. energy: -0.185
local terms energy: -65.856267
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -330.733924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.733924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.733924 (E_RNA)
where:
Base-Base interactions energy: -226.029
where: short stacking energy: -91.900
Base-Backbone interact. energy: -0.058
local terms energy: -104.647194
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -26.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -330.011495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.011495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.011495 (E_RNA)
where:
Base-Base interactions energy: -217.186
where: short stacking energy: -87.489
Base-Backbone interact. energy: -0.068
local terms energy: -112.757062
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -29.129
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: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -319.692850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.692850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.692850 (E_RNA)
where:
Base-Base interactions energy: -223.644
where: short stacking energy: -100.520
Base-Backbone interact. energy: -0.007
local terms energy: -96.041421
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -29.991
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: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -270.602614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.602614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.602614 (E_RNA)
where:
Base-Base interactions energy: -164.552
where: short stacking energy: -79.639
Base-Backbone interact. energy: -0.733
local terms energy: -105.317623
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -24.011
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -274.457806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.457806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.457806 (E_RNA)
where:
Base-Base interactions energy: -171.281
where: short stacking energy: -92.086
Base-Backbone interact. energy: -0.516
local terms energy: -102.660440
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -21.463
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -30.251
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: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -255.833152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.833152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.833152 (E_RNA)
where:
Base-Base interactions energy: -159.240
where: short stacking energy: -76.441
Base-Backbone interact. energy: -0.731
local terms energy: -95.862710
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -21.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -134.841442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.841442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.841442 (E_RNA)
where:
Base-Base interactions energy: -56.524
where: short stacking energy: -49.655
Base-Backbone interact. energy: -1.243
local terms energy: -77.074135
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -9.848
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: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -108.867814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.867814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.867814 (E_RNA)
where:
Base-Base interactions energy: -40.469
where: short stacking energy: -36.977
Base-Backbone interact. energy: 0.169
local terms energy: -68.567345
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -112.962703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.962703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.962703 (E_RNA)
where:
Base-Base interactions energy: -50.193
where: short stacking energy: -20.940
Base-Backbone interact. energy: 0.749
local terms energy: -63.519537
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: 0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -102.099741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.099741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.099741 (E_RNA)
where:
Base-Base interactions energy: -34.307
where: short stacking energy: -25.490
Base-Backbone interact. energy: 0.580
local terms energy: -68.372008
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: 0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -340.356560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.356560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.356560 (E_RNA)
where:
Base-Base interactions energy: -221.864
where: short stacking energy: -95.714
Base-Backbone interact. energy: -0.359
local terms energy: -118.133532
where:
bonds (distance) C4'-P energy: -22.450
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -32.796
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: 131
Temperature: 0.950000
Total energy: -341.443648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.443648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.443648 (E_RNA)
where:
Base-Base interactions energy: -234.821
where: short stacking energy: -105.460
Base-Backbone interact. energy: -0.517
local terms energy: -106.106070
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -26.259
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -33.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -314.635067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.635067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.635067 (E_RNA)
where:
Base-Base interactions energy: -211.115
where: short stacking energy: -89.889
Base-Backbone interact. energy: -0.101
local terms energy: -103.419247
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -25.677
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: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -277.805232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.805232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.805232 (E_RNA)
where:
Base-Base interactions energy: -178.568
where: short stacking energy: -84.140
Base-Backbone interact. energy: -0.924
local terms energy: -98.312723
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -21.635
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: 131
Temperature: 1.100000
Total energy: -273.305062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.305062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.305062 (E_RNA)
where:
Base-Base interactions energy: -171.684
where: short stacking energy: -82.876
Base-Backbone interact. energy: -0.164
local terms energy: -101.457426
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -27.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -255.562100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.562100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.562100 (E_RNA)
where:
Base-Base interactions energy: -166.951
where: short stacking energy: -82.223
Base-Backbone interact. energy: 2.549
local terms energy: -91.160178
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -15.954
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: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -131.017484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.017484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.017484 (E_RNA)
where:
Base-Base interactions energy: -47.763
where: short stacking energy: -42.305
Base-Backbone interact. energy: -0.096
local terms energy: -83.158986
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -115.238665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.238665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.238665 (E_RNA)
where:
Base-Base interactions energy: -40.623
where: short stacking energy: -40.623
Base-Backbone interact. energy: 1.333
local terms energy: -75.949006
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -113.853469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.853469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.853469 (E_RNA)
where:
Base-Base interactions energy: -39.025
where: short stacking energy: -30.054
Base-Backbone interact. energy: 0.882
local terms energy: -75.710249
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -11.719
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: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -101.495369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.495369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.495369 (E_RNA)
where:
Base-Base interactions energy: -36.052
where: short stacking energy: -36.181
Base-Backbone interact. energy: -0.020
local terms energy: -65.423962
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -336.782527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.782527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.782527 (E_RNA)
where:
Base-Base interactions energy: -233.569
where: short stacking energy: -104.575
Base-Backbone interact. energy: -0.661
local terms energy: -102.552385
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -23.843
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -31.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -340.773433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.773433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.773433 (E_RNA)
where:
Base-Base interactions energy: -226.320
where: short stacking energy: -96.734
Base-Backbone interact. energy: 2.067
local terms energy: -116.519983
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -23.981
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -32.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -325.866203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.866203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.866203 (E_RNA)
where:
Base-Base interactions energy: -211.747
where: short stacking energy: -89.615
Base-Backbone interact. energy: -0.018
local terms energy: -114.101456
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -31.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -262.939924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.939924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.939924 (E_RNA)
where:
Base-Base interactions energy: -165.578
where: short stacking energy: -88.304
Base-Backbone interact. energy: -1.806
local terms energy: -95.556091
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -271.698209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.698209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.698209 (E_RNA)
where:
Base-Base interactions energy: -170.969
where: short stacking energy: -81.362
Base-Backbone interact. energy: 0.164
local terms energy: -100.893114
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -248.888300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.888300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.888300 (E_RNA)
where:
Base-Base interactions energy: -161.126
where: short stacking energy: -76.867
Base-Backbone interact. energy: -0.602
local terms energy: -87.160437
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -12.276
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: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -121.272742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.272742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.272742 (E_RNA)
where:
Base-Base interactions energy: -39.041
where: short stacking energy: -36.326
Base-Backbone interact. energy: 0.239
local terms energy: -82.470478
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -118.804382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.804382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.804382 (E_RNA)
where:
Base-Base interactions energy: -50.207
where: short stacking energy: -45.235
Base-Backbone interact. energy: 1.353
local terms energy: -69.950373
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -3.590
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: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -107.682043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.682043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.682043 (E_RNA)
where:
Base-Base interactions energy: -44.564
where: short stacking energy: -37.955
Base-Backbone interact. energy: -0.166
local terms energy: -62.952196
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -6.470
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: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -102.772086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.772086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.772086 (E_RNA)
where:
Base-Base interactions energy: -34.266
where: short stacking energy: -34.114
Base-Backbone interact. energy: -0.625
local terms energy: -67.881026
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -2.987
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: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -347.035066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.035066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.035066 (E_RNA)
where:
Base-Base interactions energy: -228.333
where: short stacking energy: -102.479
Base-Backbone interact. energy: -0.522
local terms energy: -118.180372
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -31.555
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: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -328.955431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.955431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.955431 (E_RNA)
where:
Base-Base interactions energy: -221.074
where: short stacking energy: -90.723
Base-Backbone interact. energy: -0.503
local terms energy: -107.378500
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -23.315
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -30.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -333.698438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.698438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.698438 (E_RNA)
where:
Base-Base interactions energy: -230.349
where: short stacking energy: -101.425
Base-Backbone interact. energy: -0.328
local terms energy: -103.021292
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -28.651
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: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -257.255801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.255801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.255801 (E_RNA)
where:
Base-Base interactions energy: -168.394
where: short stacking energy: -69.824
Base-Backbone interact. energy: -2.052
local terms energy: -86.809536
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -263.395084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.395084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.395084 (E_RNA)
where:
Base-Base interactions energy: -166.032
where: short stacking energy: -88.817
Base-Backbone interact. energy: -0.061
local terms energy: -97.301644
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -261.028996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.028996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.028996 (E_RNA)
where:
Base-Base interactions energy: -164.944
where: short stacking energy: -88.030
Base-Backbone interact. energy: -0.263
local terms energy: -95.821966
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -23.968
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: 133
Temperature: 1.200000
Total energy: -125.362711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.362711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.362711 (E_RNA)
where:
Base-Base interactions energy: -52.098
where: short stacking energy: -32.120
Base-Backbone interact. energy: -0.970
local terms energy: -72.295017
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -12.953
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: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -115.464636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.464636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.464636 (E_RNA)
where:
Base-Base interactions energy: -40.509
where: short stacking energy: -35.400
Base-Backbone interact. energy: -1.214
local terms energy: -73.741363
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -1.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -110.562607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.562607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.562607 (E_RNA)
where:
Base-Base interactions energy: -38.720
where: short stacking energy: -38.016
Base-Backbone interact. energy: -0.038
local terms energy: -71.804956
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -102.951173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.951173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.951173 (E_RNA)
where:
Base-Base interactions energy: -32.665
where: short stacking energy: -24.703
Base-Backbone interact. energy: -1.259
local terms energy: -69.027428
where:
bonds (distance) C4'-P energy: -20.206
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: 5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -341.656379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.656379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.656379 (E_RNA)
where:
Base-Base interactions energy: -226.068
where: short stacking energy: -93.534
Base-Backbone interact. energy: 0.280
local terms energy: -115.868034
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -31.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -333.514538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.514538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.514538 (E_RNA)
where:
Base-Base interactions energy: -224.245
where: short stacking energy: -98.604
Base-Backbone interact. energy: -1.480
local terms energy: -107.790420
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -30.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -336.768450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.768450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.768450 (E_RNA)
where:
Base-Base interactions energy: -231.685
where: short stacking energy: -102.966
Base-Backbone interact. energy: -1.293
local terms energy: -103.790385
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -32.514
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: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -271.899875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.899875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.899875 (E_RNA)
where:
Base-Base interactions energy: -175.257
where: short stacking energy: -93.918
Base-Backbone interact. energy: -0.053
local terms energy: -96.590547
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -23.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -251.036825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.036825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.036825 (E_RNA)
where:
Base-Base interactions energy: -161.710
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.126
local terms energy: -89.200160
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -16.720
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: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -251.119763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.119763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.119763 (E_RNA)
where:
Base-Base interactions energy: -161.626
where: short stacking energy: -82.824
Base-Backbone interact. energy: -0.663
local terms energy: -88.830870
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -24.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -132.001487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.001487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.001487 (E_RNA)
where:
Base-Base interactions energy: -52.549
where: short stacking energy: -47.127
Base-Backbone interact. energy: 0.472
local terms energy: -79.924598
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -8.145
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: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -105.639224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.639224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.639224 (E_RNA)
where:
Base-Base interactions energy: -38.684
where: short stacking energy: -38.684
Base-Backbone interact. energy: 0.200
local terms energy: -67.155321
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -107.795254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.795254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.795254 (E_RNA)
where:
Base-Base interactions energy: -44.008
where: short stacking energy: -39.910
Base-Backbone interact. energy: 0.559
local terms energy: -64.346407
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -94.666557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.666557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.666557 (E_RNA)
where:
Base-Base interactions energy: -28.511
where: short stacking energy: -24.152
Base-Backbone interact. energy: -0.416
local terms energy: -65.739779
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -1.025
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: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -336.607437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.607437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.607437 (E_RNA)
where:
Base-Base interactions energy: -230.208
where: short stacking energy: -109.099
Base-Backbone interact. energy: -0.039
local terms energy: -106.360722
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -33.653
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: 2, replica: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -333.959754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.959754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.959754 (E_RNA)
where:
Base-Base interactions energy: -218.698
where: short stacking energy: -98.175
Base-Backbone interact. energy: -0.555
local terms energy: -114.706273
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -34.066
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: 135
Temperature: 1.000000
Total energy: -322.778025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.778025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.778025 (E_RNA)
where:
Base-Base interactions energy: -213.876
where: short stacking energy: -90.874
Base-Backbone interact. energy: -0.747
local terms energy: -108.155299
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -24.810
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: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -272.724258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.724258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.724258 (E_RNA)
where:
Base-Base interactions energy: -175.922
where: short stacking energy: -84.499
Base-Backbone interact. energy: 0.824
local terms energy: -97.626298
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -26.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -257.702358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.702358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.702358 (E_RNA)
where:
Base-Base interactions energy: -163.619
where: short stacking energy: -68.016
Base-Backbone interact. energy: -0.109
local terms energy: -93.974003
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -252.474337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.474337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.474337 (E_RNA)
where:
Base-Base interactions energy: -165.171
where: short stacking energy: -88.433
Base-Backbone interact. energy: -0.838
local terms energy: -86.464745
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -20.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -157.768034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.768034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.768034 (E_RNA)
where:
Base-Base interactions energy: -86.962
where: short stacking energy: -39.671
Base-Backbone interact. energy: -0.287
local terms energy: -70.518744
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -109.140090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.140090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.140090 (E_RNA)
where:
Base-Base interactions energy: -44.117
where: short stacking energy: -40.421
Base-Backbone interact. energy: -0.155
local terms energy: -64.867978
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -3.830
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: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -97.073067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.073067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.073067 (E_RNA)
where:
Base-Base interactions energy: -27.022
where: short stacking energy: -25.518
Base-Backbone interact. energy: -0.744
local terms energy: -69.306604
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -10.706
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: 135
Temperature: 1.350000
Total energy: -98.844118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.844118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.844118 (E_RNA)
where:
Base-Base interactions energy: -31.388
where: short stacking energy: -26.705
Base-Backbone interact. energy: 0.025
local terms energy: -67.481257
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -341.540874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.540874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.540874 (E_RNA)
where:
Base-Base interactions energy: -227.382
where: short stacking energy: -102.913
Base-Backbone interact. energy: -0.598
local terms energy: -113.560984
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -30.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -339.315590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.315590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.315590 (E_RNA)
where:
Base-Base interactions energy: -228.601
where: short stacking energy: -103.083
Base-Backbone interact. energy: -2.114
local terms energy: -108.599900
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -33.420
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: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -331.737427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.737427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.737427 (E_RNA)
where:
Base-Base interactions energy: -219.922
where: short stacking energy: -99.560
Base-Backbone interact. energy: -0.142
local terms energy: -111.673707
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -30.212
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: 136
Temperature: 1.050000
Total energy: -280.607222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.607222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.607222 (E_RNA)
where:
Base-Base interactions energy: -181.058
where: short stacking energy: -94.830
Base-Backbone interact. energy: -0.025
local terms energy: -99.524457
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -26.869
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: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -267.377377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.377377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.377377 (E_RNA)
where:
Base-Base interactions energy: -166.442
where: short stacking energy: -76.045
Base-Backbone interact. energy: -1.208
local terms energy: -99.727464
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -251.659923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.659923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.659923 (E_RNA)
where:
Base-Base interactions energy: -163.836
where: short stacking energy: -81.004
Base-Backbone interact. energy: -0.282
local terms energy: -87.541657
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -10.435
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: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -209.731655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.731655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.731655 (E_RNA)
where:
Base-Base interactions energy: -128.577
where: short stacking energy: -58.378
Base-Backbone interact. energy: -0.301
local terms energy: -80.853783
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -108.824163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.824163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.824163 (E_RNA)
where:
Base-Base interactions energy: -46.406
where: short stacking energy: -43.398
Base-Backbone interact. energy: -0.129
local terms energy: -62.289210
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -20.106
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -102.436808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.436808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.436808 (E_RNA)
where:
Base-Base interactions energy: -42.715
where: short stacking energy: -27.711
Base-Backbone interact. energy: -1.395
local terms energy: -58.327324
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: 1.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -108.939188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.939188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.939188 (E_RNA)
where:
Base-Base interactions energy: -48.782
where: short stacking energy: -33.798
Base-Backbone interact. energy: -1.604
local terms energy: -58.552773
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: 0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -339.048520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.048520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.048520 (E_RNA)
where:
Base-Base interactions energy: -227.597
where: short stacking energy: -101.728
Base-Backbone interact. energy: -0.013
local terms energy: -111.438478
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -32.696
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: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -343.438225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.438225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.438225 (E_RNA)
where:
Base-Base interactions energy: -230.426
where: short stacking energy: -100.662
Base-Backbone interact. energy: -0.387
local terms energy: -112.625758
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -31.071
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: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -339.053726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.053726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.053726 (E_RNA)
where:
Base-Base interactions energy: -224.658
where: short stacking energy: -102.354
Base-Backbone interact. energy: -0.428
local terms energy: -113.968483
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -31.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -261.646975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.646975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.646975 (E_RNA)
where:
Base-Base interactions energy: -169.228
where: short stacking energy: -84.919
Base-Backbone interact. energy: -0.363
local terms energy: -92.056144
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -23.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -256.328222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.328222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.328222 (E_RNA)
where:
Base-Base interactions energy: -167.630
where: short stacking energy: -80.106
Base-Backbone interact. energy: -0.093
local terms energy: -88.604785
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -241.253061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.253061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.253061 (E_RNA)
where:
Base-Base interactions energy: -152.115
where: short stacking energy: -71.076
Base-Backbone interact. energy: 0.270
local terms energy: -89.407293
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -249.580248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.580248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.580248 (E_RNA)
where:
Base-Base interactions energy: -165.324
where: short stacking energy: -87.797
Base-Backbone interact. energy: -0.013
local terms energy: -84.243196
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -121.576710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.576710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.576710 (E_RNA)
where:
Base-Base interactions energy: -48.675
where: short stacking energy: -30.064
Base-Backbone interact. energy: -0.525
local terms energy: -72.376625
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -20.462
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: 0.359
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: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -118.912269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.912269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.912269 (E_RNA)
where:
Base-Base interactions energy: -42.397
where: short stacking energy: -42.397
Base-Backbone interact. energy: -0.129
local terms energy: -76.386023
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -20.856
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -11.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -106.471624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.471624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.471624 (E_RNA)
where:
Base-Base interactions energy: -40.349
where: short stacking energy: -27.764
Base-Backbone interact. energy: -0.258
local terms energy: -65.864238
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -6.721
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: 138
Temperature: 0.900000
Total energy: -341.702063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.702063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.702063 (E_RNA)
where:
Base-Base interactions energy: -225.079
where: short stacking energy: -100.833
Base-Backbone interact. energy: -0.602
local terms energy: -116.021901
where:
bonds (distance) C4'-P energy: -24.130
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -23.101
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -32.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -334.382955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.382955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.382955 (E_RNA)
where:
Base-Base interactions energy: -225.608
where: short stacking energy: -94.552
Base-Backbone interact. energy: -1.635
local terms energy: -107.140586
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -29.501
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: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -270.953267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.953267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.953267 (E_RNA)
where:
Base-Base interactions energy: -171.186
where: short stacking energy: -82.067
Base-Backbone interact. energy: -0.114
local terms energy: -99.653493
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -324.616590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.616590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.616590 (E_RNA)
where:
Base-Base interactions energy: -219.501
where: short stacking energy: -90.334
Base-Backbone interact. energy: -0.013
local terms energy: -105.101940
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -32.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -255.794179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.794179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.794179 (E_RNA)
where:
Base-Base interactions energy: -162.587
where: short stacking energy: -73.731
Base-Backbone interact. energy: 1.257
local terms energy: -94.463258
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -262.588096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.588096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.588096 (E_RNA)
where:
Base-Base interactions energy: -171.428
where: short stacking energy: -81.910
Base-Backbone interact. energy: -0.052
local terms energy: -91.107564
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -232.239897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.239897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.239897 (E_RNA)
where:
Base-Base interactions energy: -147.546
where: short stacking energy: -74.286
Base-Backbone interact. energy: -0.933
local terms energy: -83.761104
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -159.405482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.405482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.405482 (E_RNA)
where:
Base-Base interactions energy: -83.043
where: short stacking energy: -43.661
Base-Backbone interact. energy: -1.075
local terms energy: -75.287788
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -148.105407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.105407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.105407 (E_RNA)
where:
Base-Base interactions energy: -70.992
where: short stacking energy: -39.284
Base-Backbone interact. energy: -0.542
local terms energy: -76.571355
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -117.534314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.534314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.534314 (E_RNA)
where:
Base-Base interactions energy: -44.728
where: short stacking energy: -44.728
Base-Backbone interact. energy: -0.027
local terms energy: -72.778827
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -345.311814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.311814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.311814 (E_RNA)
where:
Base-Base interactions energy: -230.298
where: short stacking energy: -104.396
Base-Backbone interact. energy: -0.510
local terms energy: -114.503321
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -31.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -331.580009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.580009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.580009 (E_RNA)
where:
Base-Base interactions energy: -224.235
where: short stacking energy: -93.995
Base-Backbone interact. energy: -0.282
local terms energy: -107.063146
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -29.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -288.036107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.036107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.036107 (E_RNA)
where:
Base-Base interactions energy: -195.348
where: short stacking energy: -98.489
Base-Backbone interact. energy: -0.129
local terms energy: -92.559449
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -23.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -275.020136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.020136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.020136 (E_RNA)
where:
Base-Base interactions energy: -177.376
where: short stacking energy: -85.901
Base-Backbone interact. energy: 0.943
local terms energy: -98.587122
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -323.687375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.687375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.687375 (E_RNA)
where:
Base-Base interactions energy: -223.417
where: short stacking energy: -97.421
Base-Backbone interact. energy: -1.369
local terms energy: -98.901252
where:
bonds (distance) C4'-P energy: -8.896
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -20.889
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -30.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -256.025599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.025599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.025599 (E_RNA)
where:
Base-Base interactions energy: -160.051
where: short stacking energy: -74.151
Base-Backbone interact. energy: -1.057
local terms energy: -94.917181
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -24.413
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -25.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -244.649179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.649179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.649179 (E_RNA)
where:
Base-Base interactions energy: -149.427
where: short stacking energy: -65.784
Base-Backbone interact. energy: -0.013
local terms energy: -95.208787
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -164.938685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.938685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.938685 (E_RNA)
where:
Base-Base interactions energy: -96.130
where: short stacking energy: -44.777
Base-Backbone interact. energy: -0.303
local terms energy: -68.505097
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -16.946
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: 9, replica: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -147.253885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.253885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.253885 (E_RNA)
where:
Base-Base interactions energy: -75.590
where: short stacking energy: -36.691
Base-Backbone interact. energy: -0.808
local terms energy: -70.855228
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -6.314
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: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -105.155215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.155215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.155215 (E_RNA)
where:
Base-Base interactions energy: -35.925
where: short stacking energy: -34.622
Base-Backbone interact. energy: -0.412
local terms energy: -68.818060
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -330.199809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.199809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.199809 (E_RNA)
where:
Base-Base interactions energy: -231.520
where: short stacking energy: -89.796
Base-Backbone interact. energy: -0.062
local terms energy: -98.617722
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -24.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -339.501753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.501753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.501753 (E_RNA)
where:
Base-Base interactions energy: -225.709
where: short stacking energy: -102.061
Base-Backbone interact. energy: -0.714
local terms energy: -113.077991
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -33.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -285.662509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.662509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.662509 (E_RNA)
where:
Base-Base interactions energy: -193.816
where: short stacking energy: -93.047
Base-Backbone interact. energy: -0.519
local terms energy: -91.327094
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -23.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -276.274830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.274830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.274830 (E_RNA)
where:
Base-Base interactions energy: -179.076
where: short stacking energy: -83.692
Base-Backbone interact. energy: -0.437
local terms energy: -96.761550
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -247.469310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.469310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.469310 (E_RNA)
where:
Base-Base interactions energy: -154.033
where: short stacking energy: -75.922
Base-Backbone interact. energy: -2.096
local terms energy: -91.340678
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -20.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -328.613779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.613779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.613779 (E_RNA)
where:
Base-Base interactions energy: -217.458
where: short stacking energy: -95.920
Base-Backbone interact. energy: -0.336
local terms energy: -110.819891
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -31.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -240.677344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.677344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.677344 (E_RNA)
where:
Base-Base interactions energy: -162.022
where: short stacking energy: -82.464
Base-Backbone interact. energy: 3.537
local terms energy: -82.192419
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -18.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -163.867830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.867830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.867830 (E_RNA)
where:
Base-Base interactions energy: -95.697
where: short stacking energy: -40.865
Base-Backbone interact. energy: -0.482
local terms energy: -67.688959
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -14.374
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: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -104.321552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.321552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.321552 (E_RNA)
where:
Base-Base interactions energy: -35.656
where: short stacking energy: -35.656
Base-Backbone interact. energy: -0.206
local terms energy: -68.459647
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -106.807469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.807469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.807469 (E_RNA)
where:
Base-Base interactions energy: -35.811
where: short stacking energy: -29.280
Base-Backbone interact. energy: -0.028
local terms energy: -70.968481
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -0.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -343.271322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.271322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.271322 (E_RNA)
where:
Base-Base interactions energy: -231.949
where: short stacking energy: -89.964
Base-Backbone interact. energy: -0.561
local terms energy: -110.761379
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -18.313
tors. eta vs tors. theta energy: -29.120
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: 141
Temperature: 0.950000
Total energy: -341.428019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.428019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.428019 (E_RNA)
where:
Base-Base interactions energy: -232.827
where: short stacking energy: -107.903
Base-Backbone interact. energy: -0.096
local terms energy: -108.505454
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -18.077
tors. eta vs tors. theta energy: -31.595
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: 141
Temperature: 1.000000
Total energy: -277.116868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.116868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.116868 (E_RNA)
where:
Base-Base interactions energy: -175.500
where: short stacking energy: -91.761
Base-Backbone interact. energy: -0.323
local terms energy: -101.293997
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -25.229
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -270.599062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.599062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.599062 (E_RNA)
where:
Base-Base interactions energy: -168.294
where: short stacking energy: -84.927
Base-Backbone interact. energy: -0.052
local terms energy: -102.253733
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -24.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -274.494064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.494064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.494064 (E_RNA)
where:
Base-Base interactions energy: -167.619
where: short stacking energy: -85.188
Base-Backbone interact. energy: -0.008
local terms energy: -106.866638
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -26.716
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: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -307.143689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.143689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.143689 (E_RNA)
where:
Base-Base interactions energy: -204.164
where: short stacking energy: -86.496
Base-Backbone interact. energy: -0.290
local terms energy: -102.689412
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -27.613
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: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -232.395724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.395724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.395724 (E_RNA)
where:
Base-Base interactions energy: -155.577
where: short stacking energy: -69.617
Base-Backbone interact. energy: -0.331
local terms energy: -76.487682
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -10.335
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: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -120.355410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.355410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.355410 (E_RNA)
where:
Base-Base interactions energy: -42.441
where: short stacking energy: -42.394
Base-Backbone interact. energy: -0.363
local terms energy: -77.550767
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -21.252
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -108.711828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.711828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.711828 (E_RNA)
where:
Base-Base interactions energy: -44.249
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.605
local terms energy: -63.857906
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -107.302690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.302690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.302690 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -35.817
Base-Backbone interact. energy: -0.113
local terms energy: -71.372643
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -19.895
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -2.082
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: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -337.007373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.007373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.007373 (E_RNA)
where:
Base-Base interactions energy: -224.399
where: short stacking energy: -92.524
Base-Backbone interact. energy: -0.541
local terms energy: -112.066834
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -31.409
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: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -339.094255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.094255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.094255 (E_RNA)
where:
Base-Base interactions energy: -227.229
where: short stacking energy: -101.428
Base-Backbone interact. energy: -1.440
local terms energy: -110.425515
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -33.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -280.714088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.714088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.714088 (E_RNA)
where:
Base-Base interactions energy: -180.550
where: short stacking energy: -96.080
Base-Backbone interact. energy: -0.417
local terms energy: -99.747353
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -30.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -267.526051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.526051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.526051 (E_RNA)
where:
Base-Base interactions energy: -181.224
where: short stacking energy: -88.739
Base-Backbone interact. energy: -0.214
local terms energy: -86.087265
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -21.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -317.146719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.146719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.146719 (E_RNA)
where:
Base-Base interactions energy: -217.556
where: short stacking energy: -96.596
Base-Backbone interact. energy: -0.535
local terms energy: -99.055838
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -28.409
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: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -242.367168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.367168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.367168 (E_RNA)
where:
Base-Base interactions energy: -149.474
where: short stacking energy: -69.536
Base-Backbone interact. energy: 0.057
local terms energy: -92.950240
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -11.678
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: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -127.272889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.272889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.272889 (E_RNA)
where:
Base-Base interactions energy: -49.762
where: short stacking energy: -49.125
Base-Backbone interact. energy: -0.062
local terms energy: -77.448066
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -15.794
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: 8, replica: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -241.373989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.373989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.373989 (E_RNA)
where:
Base-Base interactions energy: -157.121
where: short stacking energy: -78.126
Base-Backbone interact. energy: -0.735
local terms energy: -83.518105
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -11.108
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: 9, replica: 2
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -106.432627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.432627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.432627 (E_RNA)
where:
Base-Base interactions energy: -44.658
where: short stacking energy: -43.054
Base-Backbone interact. energy: -0.279
local terms energy: -61.495838
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -19.880
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: 0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -95.729418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.729418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.729418 (E_RNA)
where:
Base-Base interactions energy: -30.901
where: short stacking energy: -27.758
Base-Backbone interact. energy: -0.344
local terms energy: -64.484650
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: 3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -340.899792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.899792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.899792 (E_RNA)
where:
Base-Base interactions energy: -227.144
where: short stacking energy: -87.164
Base-Backbone interact. energy: -0.668
local terms energy: -113.087526
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -21.363
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -31.075
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: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -343.839909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.839909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.839909 (E_RNA)
where:
Base-Base interactions energy: -237.097
where: short stacking energy: -106.113
Base-Backbone interact. energy: -2.296
local terms energy: -104.446693
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -34.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -286.860070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.860070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.860070 (E_RNA)
where:
Base-Base interactions energy: -179.732
where: short stacking energy: -87.499
Base-Backbone interact. energy: -0.018
local terms energy: -107.110336
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -29.429
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: 143
Temperature: 1.050000
Total energy: -317.797224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.797224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.797224 (E_RNA)
where:
Base-Base interactions energy: -214.812
where: short stacking energy: -93.281
Base-Backbone interact. energy: -1.570
local terms energy: -101.415489
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -26.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -270.826879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.826879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.826879 (E_RNA)
where:
Base-Base interactions energy: -180.821
where: short stacking energy: -86.657
Base-Backbone interact. energy: -0.696
local terms energy: -89.309703
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -26.295
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: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -241.034964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.034964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.034964 (E_RNA)
where:
Base-Base interactions energy: -155.092
where: short stacking energy: -62.019
Base-Backbone interact. energy: -0.452
local terms energy: -85.491351
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -10.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -116.559593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.559593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.559593 (E_RNA)
where:
Base-Base interactions energy: -42.766
where: short stacking energy: -42.766
Base-Backbone interact. energy: -0.404
local terms energy: -73.389025
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -13.012
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: 8, replica: 3
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -235.534962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.534962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.534962 (E_RNA)
where:
Base-Base interactions energy: -150.469
where: short stacking energy: -82.068
Base-Backbone interact. energy: -0.861
local terms energy: -84.205762
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -21.390
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: 9, replica: 2
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -107.885980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.885980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.885980 (E_RNA)
where:
Base-Base interactions energy: -43.973
where: short stacking energy: -33.915
Base-Backbone interact. energy: -0.749
local terms energy: -63.164759
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: 2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -102.031542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.031542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.031542 (E_RNA)
where:
Base-Base interactions energy: -32.406
where: short stacking energy: -24.609
Base-Backbone interact. energy: -0.022
local terms energy: -69.604204
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -349.909152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.909152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.909152 (E_RNA)
where:
Base-Base interactions energy: -233.235
where: short stacking energy: -107.696
Base-Backbone interact. energy: -2.497
local terms energy: -114.176399
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -33.903
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: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -331.331729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.331729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.331729 (E_RNA)
where:
Base-Base interactions energy: -217.883
where: short stacking energy: -84.535
Base-Backbone interact. energy: -0.023
local terms energy: -113.425647
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -27.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -335.054834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.054834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.054834 (E_RNA)
where:
Base-Base interactions energy: -224.325
where: short stacking energy: -99.785
Base-Backbone interact. energy: -0.280
local terms energy: -110.449609
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -24.361
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -32.031
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: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -264.904919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.904919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.904919 (E_RNA)
where:
Base-Base interactions energy: -168.913
where: short stacking energy: -84.583
Base-Backbone interact. energy: -0.455
local terms energy: -95.536682
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -264.991085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.991085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.991085 (E_RNA)
where:
Base-Base interactions energy: -173.812
where: short stacking energy: -89.101
Base-Backbone interact. energy: -0.517
local terms energy: -90.661865
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -231.717578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.717578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.717578 (E_RNA)
where:
Base-Base interactions energy: -146.986
where: short stacking energy: -58.806
Base-Backbone interact. energy: 0.202
local terms energy: -84.934223
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -10.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -259.533867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.533867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.533867 (E_RNA)
where:
Base-Base interactions energy: -167.147
where: short stacking energy: -71.753
Base-Backbone interact. energy: -0.954
local terms energy: -91.433171
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -117.908748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.908748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.908748 (E_RNA)
where:
Base-Base interactions energy: -40.291
where: short stacking energy: -40.291
Base-Backbone interact. energy: -0.030
local terms energy: -77.588081
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -104.684833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.684833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.684833 (E_RNA)
where:
Base-Base interactions energy: -45.824
where: short stacking energy: -45.824
Base-Backbone interact. energy: -0.208
local terms energy: -58.652544
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: 0.725
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: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -142.302835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.302835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.302835 (E_RNA)
where:
Base-Base interactions energy: -78.342
where: short stacking energy: -42.318
Base-Backbone interact. energy: -0.104
local terms energy: -63.857052
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -5.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -349.918821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.918821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.918821 (E_RNA)
where:
Base-Base interactions energy: -235.146
where: short stacking energy: -102.325
Base-Backbone interact. energy: -1.661
local terms energy: -113.111547
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -33.932
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: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -344.047428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.047428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.047428 (E_RNA)
where:
Base-Base interactions energy: -231.160
where: short stacking energy: -105.721
Base-Backbone interact. energy: 0.119
local terms energy: -113.005912
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -26.099
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -32.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -321.725862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.725862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.725862 (E_RNA)
where:
Base-Base interactions energy: -219.486
where: short stacking energy: -94.921
Base-Backbone interact. energy: -0.004
local terms energy: -102.236055
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -28.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -278.690445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.690445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.690445 (E_RNA)
where:
Base-Base interactions energy: -180.464
where: short stacking energy: -88.031
Base-Backbone interact. energy: -0.235
local terms energy: -97.992050
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -23.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -262.930997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.930997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.930997 (E_RNA)
where:
Base-Base interactions energy: -167.673
where: short stacking energy: -88.241
Base-Backbone interact. energy: -0.200
local terms energy: -95.058230
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -14.850
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: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -261.073850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.073850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.073850 (E_RNA)
where:
Base-Base interactions energy: -170.476
where: short stacking energy: -85.243
Base-Backbone interact. energy: -0.043
local terms energy: -90.554628
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -237.734126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.734126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.734126 (E_RNA)
where:
Base-Base interactions energy: -158.690
where: short stacking energy: -78.306
Base-Backbone interact. energy: -0.458
local terms energy: -78.586374
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -117.600203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.600203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.600203 (E_RNA)
where:
Base-Base interactions energy: -53.344
where: short stacking energy: -41.227
Base-Backbone interact. energy: -0.951
local terms energy: -63.305440
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -117.806009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.806009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.806009 (E_RNA)
where:
Base-Base interactions energy: -64.732
where: short stacking energy: -40.983
Base-Backbone interact. energy: -0.386
local terms energy: -52.687871
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -92.332546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.332546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.332546 (E_RNA)
where:
Base-Base interactions energy: -35.211
where: short stacking energy: -35.438
Base-Backbone interact. energy: 4.111
local terms energy: -61.231833
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -2.267
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: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -343.943599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.943599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.943599 (E_RNA)
where:
Base-Base interactions energy: -232.308
where: short stacking energy: -91.646
Base-Backbone interact. energy: -1.487
local terms energy: -110.149102
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -30.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -347.765039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.765039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.765039 (E_RNA)
where:
Base-Base interactions energy: -232.153
where: short stacking energy: -107.665
Base-Backbone interact. energy: 1.258
local terms energy: -116.869835
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -24.555
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -33.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -322.886836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.886836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.886836 (E_RNA)
where:
Base-Base interactions energy: -218.607
where: short stacking energy: -96.289
Base-Backbone interact. energy: -0.046
local terms energy: -104.233596
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -31.889
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: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -280.889525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.889525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.889525 (E_RNA)
where:
Base-Base interactions energy: -187.723
where: short stacking energy: -82.633
Base-Backbone interact. energy: 1.534
local terms energy: -94.700299
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -24.220
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: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -261.910372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.910372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.910372 (E_RNA)
where:
Base-Base interactions energy: -165.722
where: short stacking energy: -84.125
Base-Backbone interact. energy: -0.357
local terms energy: -95.831753
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -26.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -243.956020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.956020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.956020 (E_RNA)
where:
Base-Base interactions energy: -157.763
where: short stacking energy: -83.103
Base-Backbone interact. energy: -0.398
local terms energy: -85.794493
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -125.449360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.449360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.449360 (E_RNA)
where:
Base-Base interactions energy: -55.959
where: short stacking energy: -44.939
Base-Backbone interact. energy: -0.160
local terms energy: -69.330359
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -241.107761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.107761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.107761 (E_RNA)
where:
Base-Base interactions energy: -160.539
where: short stacking energy: -73.798
Base-Backbone interact. energy: 1.186
local terms energy: -81.754678
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -99.492889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.492889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.492889 (E_RNA)
where:
Base-Base interactions energy: -35.489
where: short stacking energy: -36.700
Base-Backbone interact. energy: -0.313
local terms energy: -63.690659
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -94.609372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.609372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.609372 (E_RNA)
where:
Base-Base interactions energy: -40.665
where: short stacking energy: -29.127
Base-Backbone interact. energy: -0.829
local terms energy: -53.115439
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -341.678577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.678577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.678577 (E_RNA)
where:
Base-Base interactions energy: -234.368
where: short stacking energy: -99.242
Base-Backbone interact. energy: -0.954
local terms energy: -106.357065
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -29.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -334.257234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.257234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.257234 (E_RNA)
where:
Base-Base interactions energy: -217.254
where: short stacking energy: -93.398
Base-Backbone interact. energy: -0.466
local terms energy: -116.536527
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -31.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -323.047691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.047691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.047691 (E_RNA)
where:
Base-Base interactions energy: -221.252
where: short stacking energy: -88.239
Base-Backbone interact. energy: -0.343
local terms energy: -101.451942
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -27.762
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: 147
Temperature: 1.050000
Total energy: -271.356795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.356795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.356795 (E_RNA)
where:
Base-Base interactions energy: -178.557
where: short stacking energy: -90.542
Base-Backbone interact. energy: -0.362
local terms energy: -92.436924
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -23.980
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: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -273.389297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.389297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.389297 (E_RNA)
where:
Base-Base interactions energy: -168.672
where: short stacking energy: -84.165
Base-Backbone interact. energy: -0.138
local terms energy: -104.580008
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -22.189
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -25.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -247.840574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.840574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.840574 (E_RNA)
where:
Base-Base interactions energy: -159.410
where: short stacking energy: -80.834
Base-Backbone interact. energy: -0.886
local terms energy: -87.544544
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -19.368
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: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -141.698316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.698316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.698316 (E_RNA)
where:
Base-Base interactions energy: -69.917
where: short stacking energy: -38.079
Base-Backbone interact. energy: -1.339
local terms energy: -70.442158
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -234.573015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.573015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.573015 (E_RNA)
where:
Base-Base interactions energy: -151.714
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.126
local terms energy: -82.733460
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -102.200185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.200185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.200185 (E_RNA)
where:
Base-Base interactions energy: -40.274
where: short stacking energy: -38.231
Base-Backbone interact. energy: -0.685
local terms energy: -61.242058
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -101.424509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.424509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.424509 (E_RNA)
where:
Base-Base interactions energy: -41.280
where: short stacking energy: -32.563
Base-Backbone interact. energy: -0.144
local terms energy: -60.000177
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: 0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -343.620925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.620925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.620925 (E_RNA)
where:
Base-Base interactions energy: -229.251
where: short stacking energy: -106.846
Base-Backbone interact. energy: -0.287
local terms energy: -114.082410
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -32.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -338.351606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.351606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.351606 (E_RNA)
where:
Base-Base interactions energy: -232.797
where: short stacking energy: -105.861
Base-Backbone interact. energy: -0.282
local terms energy: -105.272459
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -30.443
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: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -315.987473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.987473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.987473 (E_RNA)
where:
Base-Base interactions energy: -207.047
where: short stacking energy: -85.047
Base-Backbone interact. energy: -0.283
local terms energy: -108.657610
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -30.839
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: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -268.219847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.219847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.219847 (E_RNA)
where:
Base-Base interactions energy: -176.653
where: short stacking energy: -83.467
Base-Backbone interact. energy: -0.577
local terms energy: -90.989985
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -271.619782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.619782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.619782 (E_RNA)
where:
Base-Base interactions energy: -167.867
where: short stacking energy: -84.454
Base-Backbone interact. energy: -0.581
local terms energy: -103.172318
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -20.026
tors. eta vs tors. theta energy: -25.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -261.238794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.238794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.238794 (E_RNA)
where:
Base-Base interactions energy: -163.887
where: short stacking energy: -80.978
Base-Backbone interact. energy: -0.010
local terms energy: -97.342263
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -27.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -221.533845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.533845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.533845 (E_RNA)
where:
Base-Base interactions energy: -133.135
where: short stacking energy: -74.063
Base-Backbone interact. energy: 1.145
local terms energy: -89.543247
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -126.296649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.296649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.296649 (E_RNA)
where:
Base-Base interactions energy: -57.205
where: short stacking energy: -39.344
Base-Backbone interact. energy: -0.174
local terms energy: -68.917866
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: 0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -111.958358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.958358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.958358 (E_RNA)
where:
Base-Base interactions energy: -44.950
where: short stacking energy: -38.185
Base-Backbone interact. energy: -0.456
local terms energy: -66.552540
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -105.932371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.932371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.932371 (E_RNA)
where:
Base-Base interactions energy: -33.755
where: short stacking energy: -29.650
Base-Backbone interact. energy: -0.564
local terms energy: -71.613913
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -349.468346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.468346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.468346 (E_RNA)
where:
Base-Base interactions energy: -235.213
where: short stacking energy: -107.198
Base-Backbone interact. energy: -1.463
local terms energy: -112.792211
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -32.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -335.383141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.383141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.383141 (E_RNA)
where:
Base-Base interactions energy: -228.472
where: short stacking energy: -102.327
Base-Backbone interact. energy: 0.721
local terms energy: -107.632159
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -30.388
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: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -325.168924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.168924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.168924 (E_RNA)
where:
Base-Base interactions energy: -219.555
where: short stacking energy: -84.624
Base-Backbone interact. energy: -0.004
local terms energy: -105.609403
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -31.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -282.526276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.526276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.526276 (E_RNA)
where:
Base-Base interactions energy: -178.553
where: short stacking energy: -94.679
Base-Backbone interact. energy: -0.707
local terms energy: -103.266937
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -26.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -273.714766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.714766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.714766 (E_RNA)
where:
Base-Base interactions energy: -169.741
where: short stacking energy: -86.198
Base-Backbone interact. energy: -0.063
local terms energy: -103.911212
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -23.169
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: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -228.861006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.861006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.861006 (E_RNA)
where:
Base-Base interactions energy: -139.956
where: short stacking energy: -66.946
Base-Backbone interact. energy: -0.473
local terms energy: -88.431764
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -17.053
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -13.330
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: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -260.261494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.261494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.261494 (E_RNA)
where:
Base-Base interactions energy: -163.617
where: short stacking energy: -83.734
Base-Backbone interact. energy: -0.848
local terms energy: -95.796689
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -102.301449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.301449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.301449 (E_RNA)
where:
Base-Base interactions energy: -38.841
where: short stacking energy: -34.633
Base-Backbone interact. energy: -0.415
local terms energy: -63.045514
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -115.257325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.257325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.257325 (E_RNA)
where:
Base-Base interactions energy: -38.873
where: short stacking energy: -38.873
Base-Backbone interact. energy: -0.195
local terms energy: -76.189329
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -95.742383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.742383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.742383 (E_RNA)
where:
Base-Base interactions energy: -38.764
where: short stacking energy: -27.066
Base-Backbone interact. energy: -0.186
local terms energy: -56.792084
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: 3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -344.061211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.061211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.061211 (E_RNA)
where:
Base-Base interactions energy: -222.723
where: short stacking energy: -103.869
Base-Backbone interact. energy: -1.107
local terms energy: -120.231168
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -22.462
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -33.713
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: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -339.465349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.465349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.465349 (E_RNA)
where:
Base-Base interactions energy: -232.917
where: short stacking energy: -105.677
Base-Backbone interact. energy: -1.097
local terms energy: -105.451243
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -33.850
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: 3, replica: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -327.561632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.561632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.561632 (E_RNA)
where:
Base-Base interactions energy: -224.102
where: short stacking energy: -89.046
Base-Backbone interact. energy: -0.340
local terms energy: -103.119237
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -31.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -272.239379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.239379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.239379 (E_RNA)
where:
Base-Base interactions energy: -167.838
where: short stacking energy: -82.338
Base-Backbone interact. energy: -0.880
local terms energy: -103.521343
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -263.708432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.708432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.708432 (E_RNA)
where:
Base-Base interactions energy: -170.012
where: short stacking energy: -82.276
Base-Backbone interact. energy: -0.173
local terms energy: -93.523812
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -23.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -224.237103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.237103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.237103 (E_RNA)
where:
Base-Base interactions energy: -128.397
where: short stacking energy: -59.032
Base-Backbone interact. energy: -1.015
local terms energy: -94.825264
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -247.699260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.699260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.699260 (E_RNA)
where:
Base-Base interactions energy: -162.648
where: short stacking energy: -83.017
Base-Backbone interact. energy: -0.115
local terms energy: -84.935734
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -26.200
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: 150
Temperature: 1.250000
Total energy: -138.709941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.709941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.709941 (E_RNA)
where:
Base-Base interactions energy: -51.352
where: short stacking energy: -50.757
Base-Backbone interact. energy: -0.041
local terms energy: -87.316908
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -14.953
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: 9, replica: 2
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -109.941091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.941091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.941091 (E_RNA)
where:
Base-Base interactions energy: -41.323
where: short stacking energy: -32.084
Base-Backbone interact. energy: -0.193
local terms energy: -68.424897
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -109.745851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.745851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.745851 (E_RNA)
where:
Base-Base interactions energy: -36.445
where: short stacking energy: -34.724
Base-Backbone interact. energy: 0.653
local terms energy: -73.953756
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -4.486
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: 151
Temperature: 0.900000
Total energy: -344.836640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.836640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.836640 (E_RNA)
where:
Base-Base interactions energy: -230.331
where: short stacking energy: -97.301
Base-Backbone interact. energy: -1.021
local terms energy: -113.485397
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -31.483
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: 2, replica: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -342.304965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.304965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.304965 (E_RNA)
where:
Base-Base interactions energy: -221.902
where: short stacking energy: -102.250
Base-Backbone interact. energy: -0.151
local terms energy: -120.252498
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -30.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -322.783607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.783607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.783607 (E_RNA)
where:
Base-Base interactions energy: -221.087
where: short stacking energy: -86.364
Base-Backbone interact. energy: -0.011
local terms energy: -101.685541
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -27.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -278.346710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.346710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.346710 (E_RNA)
where:
Base-Base interactions energy: -181.404
where: short stacking energy: -96.222
Base-Backbone interact. energy: -0.078
local terms energy: -96.864567
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -30.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -259.155888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.155888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.155888 (E_RNA)
where:
Base-Base interactions energy: -156.158
where: short stacking energy: -70.656
Base-Backbone interact. energy: -0.088
local terms energy: -102.910460
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -17.982
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: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -257.271951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.271951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.271951 (E_RNA)
where:
Base-Base interactions energy: -154.043
where: short stacking energy: -76.945
Base-Backbone interact. energy: 0.130
local terms energy: -103.358195
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -23.736
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -26.661
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: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -212.177330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.177330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.177330 (E_RNA)
where:
Base-Base interactions energy: -140.618
where: short stacking energy: -71.216
Base-Backbone interact. energy: -0.242
local terms energy: -71.316838
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -113.572878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.572878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.572878 (E_RNA)
where:
Base-Base interactions energy: -44.241
where: short stacking energy: -42.724
Base-Backbone interact. energy: -0.266
local terms energy: -69.065814
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -7.754
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: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -100.592858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.592858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.592858 (E_RNA)
where:
Base-Base interactions energy: -39.221
where: short stacking energy: -36.002
Base-Backbone interact. energy: 1.258
local terms energy: -62.630689
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -11.591
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: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -114.935603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.935603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.935603 (E_RNA)
where:
Base-Base interactions energy: -43.631
where: short stacking energy: -43.375
Base-Backbone interact. energy: -0.518
local terms energy: -70.786578
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -1.323
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: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -343.645339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.645339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.645339 (E_RNA)
where:
Base-Base interactions energy: -228.182
where: short stacking energy: -90.160
Base-Backbone interact. energy: -1.194
local terms energy: -114.269984
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -31.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -340.406958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.406958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.406958 (E_RNA)
where:
Base-Base interactions energy: -227.978
where: short stacking energy: -102.622
Base-Backbone interact. energy: -0.569
local terms energy: -111.860286
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -22.352
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -30.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -325.571988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.571988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.571988 (E_RNA)
where:
Base-Base interactions energy: -221.244
where: short stacking energy: -94.696
Base-Backbone interact. energy: -0.606
local terms energy: -103.722137
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -28.455
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: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -270.095372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.095372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.095372 (E_RNA)
where:
Base-Base interactions energy: -189.045
where: short stacking energy: -89.080
Base-Backbone interact. energy: -0.144
local terms energy: -80.906188
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -23.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -263.706244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.706244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.706244 (E_RNA)
where:
Base-Base interactions energy: -166.939
where: short stacking energy: -77.898
Base-Backbone interact. energy: -0.429
local terms energy: -96.338945
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -15.528
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: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -249.384932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.384932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.384932 (E_RNA)
where:
Base-Base interactions energy: -157.914
where: short stacking energy: -72.217
Base-Backbone interact. energy: -0.978
local terms energy: -90.492250
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -12.883
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: 152
Temperature: 1.200000
Total energy: -126.451400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.451400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.451400 (E_RNA)
where:
Base-Base interactions energy: -51.102
where: short stacking energy: -49.639
Base-Backbone interact. energy: 1.040
local terms energy: -76.390235
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -6.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -168.590254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.590254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.590254 (E_RNA)
where:
Base-Base interactions energy: -105.019
where: short stacking energy: -45.615
Base-Backbone interact. energy: -0.862
local terms energy: -62.709602
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -7.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -105.177980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.177980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.177980 (E_RNA)
where:
Base-Base interactions energy: -33.295
where: short stacking energy: -33.267
Base-Backbone interact. energy: -0.343
local terms energy: -71.540827
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -14.300
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: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -126.099962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.099962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.099962 (E_RNA)
where:
Base-Base interactions energy: -53.785
where: short stacking energy: -51.253
Base-Backbone interact. energy: 0.292
local terms energy: -72.606867
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -341.549846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.549846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.549846 (E_RNA)
where:
Base-Base interactions energy: -231.185
where: short stacking energy: -102.372
Base-Backbone interact. energy: -1.790
local terms energy: -108.574763
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -29.908
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: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -339.998260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.998260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.998260 (E_RNA)
where:
Base-Base interactions energy: -226.459
where: short stacking energy: -102.166
Base-Backbone interact. energy: -1.192
local terms energy: -112.347498
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -32.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -322.193267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.193267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.193267 (E_RNA)
where:
Base-Base interactions energy: -218.979
where: short stacking energy: -95.743
Base-Backbone interact. energy: -0.056
local terms energy: -103.158021
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -32.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -265.418916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.418916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.418916 (E_RNA)
where:
Base-Base interactions energy: -168.327
where: short stacking energy: -80.775
Base-Backbone interact. energy: -0.200
local terms energy: -96.891713
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -21.712
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: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -260.715720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.715720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.715720 (E_RNA)
where:
Base-Base interactions energy: -164.005
where: short stacking energy: -84.490
Base-Backbone interact. energy: -0.044
local terms energy: -96.666356
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -245.455601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.455601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.455601 (E_RNA)
where:
Base-Base interactions energy: -161.815
where: short stacking energy: -79.879
Base-Backbone interact. energy: -0.789
local terms energy: -82.851329
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -10.438
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: 7, replica: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -130.198070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.198070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.198070 (E_RNA)
where:
Base-Base interactions energy: -45.728
where: short stacking energy: -35.168
Base-Backbone interact. energy: -0.250
local terms energy: -84.220108
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -7.914
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: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -117.100362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.100362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.100362 (E_RNA)
where:
Base-Base interactions energy: -53.310
where: short stacking energy: -44.236
Base-Backbone interact. energy: -0.354
local terms energy: -63.436897
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -10.886
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: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -187.472768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.472768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.472768 (E_RNA)
where:
Base-Base interactions energy: -119.982
where: short stacking energy: -55.349
Base-Backbone interact. energy: -0.070
local terms energy: -67.420897
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -98.907635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.907635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.907635 (E_RNA)
where:
Base-Base interactions energy: -37.322
where: short stacking energy: -35.805
Base-Backbone interact. energy: -0.205
local terms energy: -61.380458
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: 0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -343.844181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.844181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.844181 (E_RNA)
where:
Base-Base interactions energy: -226.726
where: short stacking energy: -97.354
Base-Backbone interact. energy: -0.459
local terms energy: -116.659222
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -31.696
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: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -338.363322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.363322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.363322 (E_RNA)
where:
Base-Base interactions energy: -227.377
where: short stacking energy: -97.863
Base-Backbone interact. energy: -0.230
local terms energy: -110.756486
where:
bonds (distance) C4'-P energy: -23.604
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -30.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -319.957847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.957847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.957847 (E_RNA)
where:
Base-Base interactions energy: -211.733
where: short stacking energy: -102.410
Base-Backbone interact. energy: 0.487
local terms energy: -108.711527
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -30.195
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: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -260.992646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.992646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.992646 (E_RNA)
where:
Base-Base interactions energy: -162.467
where: short stacking energy: -78.225
Base-Backbone interact. energy: -1.297
local terms energy: -97.228706
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -15.289
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: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -260.655546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.655546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.655546 (E_RNA)
where:
Base-Base interactions energy: -169.082
where: short stacking energy: -82.710
Base-Backbone interact. energy: -0.241
local terms energy: -91.333097
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -233.465703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.465703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.465703 (E_RNA)
where:
Base-Base interactions energy: -134.918
where: short stacking energy: -65.505
Base-Backbone interact. energy: -0.390
local terms energy: -98.157763
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -21.705
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -20.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -126.882335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.882335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.882335 (E_RNA)
where:
Base-Base interactions energy: -50.640
where: short stacking energy: -46.507
Base-Backbone interact. energy: -0.260
local terms energy: -75.981914
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -121.336866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.336866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.336866 (E_RNA)
where:
Base-Base interactions energy: -51.955
where: short stacking energy: -51.955
Base-Backbone interact. energy: -0.382
local terms energy: -68.999874
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -155.729747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.729747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.729747 (E_RNA)
where:
Base-Base interactions energy: -97.037
where: short stacking energy: -41.513
Base-Backbone interact. energy: -0.191
local terms energy: -58.502417
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -104.362808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.362808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.362808 (E_RNA)
where:
Base-Base interactions energy: -46.573
where: short stacking energy: -29.985
Base-Backbone interact. energy: 2.064
local terms energy: -59.853846
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: 3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -347.743113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.743113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.743113 (E_RNA)
where:
Base-Base interactions energy: -233.663
where: short stacking energy: -100.823
Base-Backbone interact. energy: -0.612
local terms energy: -113.468159
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -31.812
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: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -341.825651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.825651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.825651 (E_RNA)
where:
Base-Base interactions energy: -224.031
where: short stacking energy: -103.290
Base-Backbone interact. energy: -1.153
local terms energy: -116.641343
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -31.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -316.747346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.747346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.747346 (E_RNA)
where:
Base-Base interactions energy: -215.657
where: short stacking energy: -84.055
Base-Backbone interact. energy: -0.487
local terms energy: -100.603404
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -28.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -268.414668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.414668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.414668 (E_RNA)
where:
Base-Base interactions energy: -168.220
where: short stacking energy: -83.999
Base-Backbone interact. energy: -0.002
local terms energy: -100.193201
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -259.111729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.111729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.111729 (E_RNA)
where:
Base-Base interactions energy: -158.248
where: short stacking energy: -77.214
Base-Backbone interact. energy: -0.565
local terms energy: -100.299383
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -19.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -249.734838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.734838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.734838 (E_RNA)
where:
Base-Base interactions energy: -162.869
where: short stacking energy: -77.759
Base-Backbone interact. energy: -0.649
local terms energy: -86.217168
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -156.534448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.534448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.534448 (E_RNA)
where:
Base-Base interactions energy: -83.978
where: short stacking energy: -44.642
Base-Backbone interact. energy: 1.216
local terms energy: -73.772149
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -118.465612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.465612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.465612 (E_RNA)
where:
Base-Base interactions energy: -66.077
where: short stacking energy: -38.582
Base-Backbone interact. energy: -1.209
local terms energy: -51.179118
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -108.711132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.711132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.711132 (E_RNA)
where:
Base-Base interactions energy: -32.328
where: short stacking energy: -28.522
Base-Backbone interact. energy: -0.091
local terms energy: -76.292408
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -105.517893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.517893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.517893 (E_RNA)
where:
Base-Base interactions energy: -39.843
where: short stacking energy: -30.679
Base-Backbone interact. energy: -0.075
local terms energy: -65.600248
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -24.425
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -1.044
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: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -350.034195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.034195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.034195 (E_RNA)
where:
Base-Base interactions energy: -244.154
where: short stacking energy: -107.043
Base-Backbone interact. energy: -1.254
local terms energy: -104.626709
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -32.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -339.264602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.264602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.264602 (E_RNA)
where:
Base-Base interactions energy: -228.528
where: short stacking energy: -92.552
Base-Backbone interact. energy: -1.432
local terms energy: -109.304730
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -32.287
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: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -320.370015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.370015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.370015 (E_RNA)
where:
Base-Base interactions energy: -220.925
where: short stacking energy: -92.406
Base-Backbone interact. energy: -0.100
local terms energy: -99.344556
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -29.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -274.854412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.854412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.854412 (E_RNA)
where:
Base-Base interactions energy: -173.431
where: short stacking energy: -87.366
Base-Backbone interact. energy: 0.571
local terms energy: -101.994289
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -26.482
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: 156
Temperature: 1.100000
Total energy: -267.510985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.510985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.510985 (E_RNA)
where:
Base-Base interactions energy: -175.070
where: short stacking energy: -87.662
Base-Backbone interact. energy: -0.450
local terms energy: -91.990971
where:
bonds (distance) C4'-P energy: -20.143
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -20.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -266.573691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.573691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.573691 (E_RNA)
where:
Base-Base interactions energy: -169.481
where: short stacking energy: -86.495
Base-Backbone interact. energy: -0.516
local terms energy: -96.576027
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -186.567975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.567975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.567975 (E_RNA)
where:
Base-Base interactions energy: -96.284
where: short stacking energy: -59.809
Base-Backbone interact. energy: 0.865
local terms energy: -91.149039
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -17.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -116.283833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.283833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.283833 (E_RNA)
where:
Base-Base interactions energy: -43.737
where: short stacking energy: -43.737
Base-Backbone interact. energy: -0.108
local terms energy: -72.439003
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -108.478353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.478353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.478353 (E_RNA)
where:
Base-Base interactions energy: -51.740
where: short stacking energy: -51.740
Base-Backbone interact. energy: -0.016
local terms energy: -56.722609
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -100.160492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.160492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.160492 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -25.009
Base-Backbone interact. energy: -0.425
local terms energy: -65.856976
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: 5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -348.304759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.304759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.304759 (E_RNA)
where:
Base-Base interactions energy: -232.649
where: short stacking energy: -105.026
Base-Backbone interact. energy: -0.082
local terms energy: -115.573639
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -31.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -330.708774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.708774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.708774 (E_RNA)
where:
Base-Base interactions energy: -224.686
where: short stacking energy: -89.948
Base-Backbone interact. energy: -0.815
local terms energy: -105.208590
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -24.121
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -31.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -333.464855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.464855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.464855 (E_RNA)
where:
Base-Base interactions energy: -222.475
where: short stacking energy: -92.522
Base-Backbone interact. energy: -1.361
local terms energy: -109.629029
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -33.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -281.343792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.343792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.343792 (E_RNA)
where:
Base-Base interactions energy: -172.578
where: short stacking energy: -91.925
Base-Backbone interact. energy: -0.726
local terms energy: -108.040293
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -29.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -276.189841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.189841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.189841 (E_RNA)
where:
Base-Base interactions energy: -181.967
where: short stacking energy: -81.442
Base-Backbone interact. energy: -0.338
local terms energy: -93.884194
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -237.015836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.015836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.015836 (E_RNA)
where:
Base-Base interactions energy: -144.366
where: short stacking energy: -77.503
Base-Backbone interact. energy: -0.119
local terms energy: -92.530659
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -193.237599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.237599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.237599 (E_RNA)
where:
Base-Base interactions energy: -107.217
where: short stacking energy: -52.875
Base-Backbone interact. energy: -0.518
local terms energy: -85.503202
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -109.065769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.065769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.065769 (E_RNA)
where:
Base-Base interactions energy: -32.879
where: short stacking energy: -27.841
Base-Backbone interact. energy: -0.192
local terms energy: -75.994802
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -115.960755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.960755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.960755 (E_RNA)
where:
Base-Base interactions energy: -58.532
where: short stacking energy: -56.430
Base-Backbone interact. energy: -0.071
local terms energy: -57.358370
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -102.313301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.313301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.313301 (E_RNA)
where:
Base-Base interactions energy: -35.961
where: short stacking energy: -35.581
Base-Backbone interact. energy: -0.399
local terms energy: -65.953376
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -21.069
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -340.394533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.394533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.394533 (E_RNA)
where:
Base-Base interactions energy: -228.310
where: short stacking energy: -99.226
Base-Backbone interact. energy: -1.172
local terms energy: -110.912582
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -32.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -330.290641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.290641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.290641 (E_RNA)
where:
Base-Base interactions energy: -221.000
where: short stacking energy: -97.105
Base-Backbone interact. energy: -0.284
local terms energy: -109.007040
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -31.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -336.562974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.562974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.562974 (E_RNA)
where:
Base-Base interactions energy: -221.061
where: short stacking energy: -97.786
Base-Backbone interact. energy: -0.846
local terms energy: -114.655966
where:
bonds (distance) C4'-P energy: -24.005
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -31.724
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: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -270.361725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.361725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.361725 (E_RNA)
where:
Base-Base interactions energy: -177.456
where: short stacking energy: -90.332
Base-Backbone interact. energy: -0.764
local terms energy: -92.141938
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -25.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -262.255519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.255519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.255519 (E_RNA)
where:
Base-Base interactions energy: -169.242
where: short stacking energy: -88.675
Base-Backbone interact. energy: -1.693
local terms energy: -91.320869
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -22.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -247.803828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.803828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.803828 (E_RNA)
where:
Base-Base interactions energy: -160.639
where: short stacking energy: -74.816
Base-Backbone interact. energy: -1.022
local terms energy: -86.142619
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -18.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -169.092853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.092853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.092853 (E_RNA)
where:
Base-Base interactions energy: -89.636
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.125
local terms energy: -79.332356
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -111.373963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.373963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.373963 (E_RNA)
where:
Base-Base interactions energy: -52.236
where: short stacking energy: -52.436
Base-Backbone interact. energy: -0.031
local terms energy: -59.107300
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -7.796
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -0.209
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: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -118.189120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.189120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.189120 (E_RNA)
where:
Base-Base interactions energy: -38.457
where: short stacking energy: -34.243
Base-Backbone interact. energy: -0.597
local terms energy: -79.135094
where:
bonds (distance) C4'-P energy: -21.494
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -10.135
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: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -119.035558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.035558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.035558 (E_RNA)
where:
Base-Base interactions energy: -54.825
where: short stacking energy: -28.730
Base-Backbone interact. energy: 1.476
local terms energy: -65.686873
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -7.683
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: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -346.554732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.554732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.554732 (E_RNA)
where:
Base-Base interactions energy: -227.681
where: short stacking energy: -103.357
Base-Backbone interact. energy: -0.007
local terms energy: -118.867038
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -26.091
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -31.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -335.768711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.768711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.768711 (E_RNA)
where:
Base-Base interactions energy: -219.723
where: short stacking energy: -95.701
Base-Backbone interact. energy: -1.210
local terms energy: -114.836441
where:
bonds (distance) C4'-P energy: -24.975
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -34.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -324.596647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.596647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.596647 (E_RNA)
where:
Base-Base interactions energy: -217.874
where: short stacking energy: -91.342
Base-Backbone interact. energy: -0.301
local terms energy: -106.421618
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -24.712
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -28.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -297.188251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.188251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.188251 (E_RNA)
where:
Base-Base interactions energy: -192.918
where: short stacking energy: -97.166
Base-Backbone interact. energy: -0.025
local terms energy: -104.245446
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -26.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -272.474008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.474008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.474008 (E_RNA)
where:
Base-Base interactions energy: -168.783
where: short stacking energy: -93.597
Base-Backbone interact. energy: -0.222
local terms energy: -103.468311
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -27.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -265.204902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.204902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.204902 (E_RNA)
where:
Base-Base interactions energy: -170.578
where: short stacking energy: -86.802
Base-Backbone interact. energy: -0.815
local terms energy: -93.811525
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -24.063
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: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -157.106760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.106760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.106760 (E_RNA)
where:
Base-Base interactions energy: -83.254
where: short stacking energy: -46.518
Base-Backbone interact. energy: -0.327
local terms energy: -73.525688
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -120.250666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.250666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.250666 (E_RNA)
where:
Base-Base interactions energy: -52.379
where: short stacking energy: -42.702
Base-Backbone interact. energy: -0.361
local terms energy: -67.510307
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -98.716128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.716128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.716128 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -21.013
Base-Backbone interact. energy: -0.515
local terms energy: -63.561790
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: 3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -114.269302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.269302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.269302 (E_RNA)
where:
Base-Base interactions energy: -43.058
where: short stacking energy: -43.058
Base-Backbone interact. energy: -0.090
local terms energy: -71.121368
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -341.621603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.621603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.621603 (E_RNA)
where:
Base-Base interactions energy: -230.139
where: short stacking energy: -103.101
Base-Backbone interact. energy: -0.171
local terms energy: -111.310812
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -30.198
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: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -331.182693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.182693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.182693 (E_RNA)
where:
Base-Base interactions energy: -225.770
where: short stacking energy: -99.963
Base-Backbone interact. energy: -1.112
local terms energy: -104.300693
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -31.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -316.700936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.700936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.700936 (E_RNA)
where:
Base-Base interactions energy: -213.852
where: short stacking energy: -85.624
Base-Backbone interact. energy: -0.477
local terms energy: -102.372419
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -29.767
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: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -271.661883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.661883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.661883 (E_RNA)
where:
Base-Base interactions energy: -173.288
where: short stacking energy: -80.403
Base-Backbone interact. energy: -0.314
local terms energy: -98.059009
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -25.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -260.893042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.893042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.893042 (E_RNA)
where:
Base-Base interactions energy: -164.845
where: short stacking energy: -85.429
Base-Backbone interact. energy: -0.773
local terms energy: -95.275818
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -25.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -267.925931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.925931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.925931 (E_RNA)
where:
Base-Base interactions energy: -173.935
where: short stacking energy: -76.581
Base-Backbone interact. energy: -0.267
local terms energy: -93.723615
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -120.894761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.894761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.894761 (E_RNA)
where:
Base-Base interactions energy: -50.084
where: short stacking energy: -39.937
Base-Backbone interact. energy: -0.862
local terms energy: -69.948750
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -13.558
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: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -124.131551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.131551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.131551 (E_RNA)
where:
Base-Base interactions energy: -46.517
where: short stacking energy: -39.746
Base-Backbone interact. energy: 3.501
local terms energy: -81.115108
where:
bonds (distance) C4'-P energy: -24.656
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -13.028
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: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -102.939805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.939805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.939805 (E_RNA)
where:
Base-Base interactions energy: -36.351
where: short stacking energy: -33.536
Base-Backbone interact. energy: -0.914
local terms energy: -65.674669
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -112.358979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.358979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.358979 (E_RNA)
where:
Base-Base interactions energy: -43.004
where: short stacking energy: -37.828
Base-Backbone interact. energy: -0.168
local terms energy: -69.186598
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -338.027301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.027301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.027301 (E_RNA)
where:
Base-Base interactions energy: -222.311
where: short stacking energy: -100.301
Base-Backbone interact. energy: -0.973
local terms energy: -114.743492
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -31.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -330.697473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.697473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.697473 (E_RNA)
where:
Base-Base interactions energy: -222.938
where: short stacking energy: -92.273
Base-Backbone interact. energy: -0.001
local terms energy: -107.758579
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -31.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -334.955917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.955917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.955917 (E_RNA)
where:
Base-Base interactions energy: -225.041
where: short stacking energy: -100.865
Base-Backbone interact. energy: -0.539
local terms energy: -109.375495
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -31.330
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: 161
Temperature: 1.050000
Total energy: -270.167912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.167912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.167912 (E_RNA)
where:
Base-Base interactions energy: -165.509
where: short stacking energy: -76.240
Base-Backbone interact. energy: 0.150
local terms energy: -104.808540
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -22.544
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -25.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -267.868025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.868025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.868025 (E_RNA)
where:
Base-Base interactions energy: -173.728
where: short stacking energy: -75.118
Base-Backbone interact. energy: -0.015
local terms energy: -94.124661
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -21.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -248.604381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.604381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.604381 (E_RNA)
where:
Base-Base interactions energy: -161.385
where: short stacking energy: -76.704
Base-Backbone interact. energy: -0.100
local terms energy: -87.119821
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -12.833
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: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -122.505841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.505841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.505841 (E_RNA)
where:
Base-Base interactions energy: -48.101
where: short stacking energy: -45.198
Base-Backbone interact. energy: -0.309
local terms energy: -74.096519
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -116.273300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.273300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.273300 (E_RNA)
where:
Base-Base interactions energy: -55.768
where: short stacking energy: -47.986
Base-Backbone interact. energy: -0.037
local terms energy: -60.467585
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -5.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -111.480673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.480673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.480673 (E_RNA)
where:
Base-Base interactions energy: -44.243
where: short stacking energy: -44.243
Base-Backbone interact. energy: -0.266
local terms energy: -66.971997
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -9.530
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: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -99.874510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.874510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.874510 (E_RNA)
where:
Base-Base interactions energy: -42.310
where: short stacking energy: -34.188
Base-Backbone interact. energy: 0.348
local terms energy: -57.913396
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: 2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -332.307960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.307960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.307960 (E_RNA)
where:
Base-Base interactions energy: -222.044
where: short stacking energy: -95.769
Base-Backbone interact. energy: -0.604
local terms energy: -109.659789
where:
bonds (distance) C4'-P energy: -22.157
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -31.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -332.899907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.899907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.899907 (E_RNA)
where:
Base-Base interactions energy: -224.746
where: short stacking energy: -102.862
Base-Backbone interact. energy: 0.102
local terms energy: -108.256014
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -23.894
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -29.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -321.456470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.456470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.456470 (E_RNA)
where:
Base-Base interactions energy: -230.765
where: short stacking energy: -98.178
Base-Backbone interact. energy: -0.027
local terms energy: -90.664491
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -26.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -274.743895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.743895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.743895 (E_RNA)
where:
Base-Base interactions energy: -182.278
where: short stacking energy: -87.722
Base-Backbone interact. energy: -0.163
local terms energy: -92.302514
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -22.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -262.337420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.337420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.337420 (E_RNA)
where:
Base-Base interactions energy: -174.349
where: short stacking energy: -85.203
Base-Backbone interact. energy: -1.010
local terms energy: -86.978361
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -257.669630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.669630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.669630 (E_RNA)
where:
Base-Base interactions energy: -166.077
where: short stacking energy: -78.860
Base-Backbone interact. energy: -1.051
local terms energy: -90.542008
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -25.087
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -118.445179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.445179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.445179 (E_RNA)
where:
Base-Base interactions energy: -48.561
where: short stacking energy: -39.819
Base-Backbone interact. energy: 0.162
local terms energy: -70.045583
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -122.410867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.410867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.410867 (E_RNA)
where:
Base-Base interactions energy: -45.716
where: short stacking energy: -38.640
Base-Backbone interact. energy: -0.233
local terms energy: -76.462178
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -104.009554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.009554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.009554 (E_RNA)
where:
Base-Base interactions energy: -32.249
where: short stacking energy: -26.448
Base-Backbone interact. energy: -0.422
local terms energy: -71.338345
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -9.722
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: 10, replica: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -97.291830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.291830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.291830 (E_RNA)
where:
Base-Base interactions energy: -28.316
where: short stacking energy: -28.298
Base-Backbone interact. energy: -0.483
local terms energy: -68.492717
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: 4.940
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: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -336.772690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.772690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.772690 (E_RNA)
where:
Base-Base interactions energy: -228.277
where: short stacking energy: -86.292
Base-Backbone interact. energy: -0.337
local terms energy: -108.158591
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -31.025
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: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -343.733927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.733927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.733927 (E_RNA)
where:
Base-Base interactions energy: -236.493
where: short stacking energy: -96.276
Base-Backbone interact. energy: -0.579
local terms energy: -106.661909
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -23.047
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -29.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -326.114321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.114321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.114321 (E_RNA)
where:
Base-Base interactions energy: -222.335
where: short stacking energy: -103.066
Base-Backbone interact. energy: -0.008
local terms energy: -103.771158
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -28.821
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: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -273.690083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.690083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.690083 (E_RNA)
where:
Base-Base interactions energy: -166.219
where: short stacking energy: -80.980
Base-Backbone interact. energy: -0.975
local terms energy: -106.495492
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -22.592
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: 163
Temperature: 1.100000
Total energy: -268.009116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.009116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.009116 (E_RNA)
where:
Base-Base interactions energy: -176.727
where: short stacking energy: -91.772
Base-Backbone interact. energy: -0.429
local terms energy: -90.853322
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -25.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -210.614595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.614595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.614595 (E_RNA)
where:
Base-Base interactions energy: -133.937
where: short stacking energy: -69.262
Base-Backbone interact. energy: -0.050
local terms energy: -76.627553
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -1.732
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -135.494244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.494244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.494244 (E_RNA)
where:
Base-Base interactions energy: -53.340
where: short stacking energy: -53.740
Base-Backbone interact. energy: -0.282
local terms energy: -81.872171
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -126.427893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.427893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.427893 (E_RNA)
where:
Base-Base interactions energy: -54.198
where: short stacking energy: -47.554
Base-Backbone interact. energy: -0.218
local terms energy: -72.011781
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -15.848
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: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -115.115445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.115445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.115445 (E_RNA)
where:
Base-Base interactions energy: -52.945
where: short stacking energy: -49.035
Base-Backbone interact. energy: -0.017
local terms energy: -62.152656
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -104.628671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.628671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.628671 (E_RNA)
where:
Base-Base interactions energy: -45.260
where: short stacking energy: -25.773
Base-Backbone interact. energy: 0.547
local terms energy: -59.916505
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -349.627292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.627292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.627292 (E_RNA)
where:
Base-Base interactions energy: -231.477
where: short stacking energy: -99.555
Base-Backbone interact. energy: -0.491
local terms energy: -117.659318
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -26.306
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -31.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -326.596329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.596329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.596329 (E_RNA)
where:
Base-Base interactions energy: -213.256
where: short stacking energy: -93.950
Base-Backbone interact. energy: -0.919
local terms energy: -112.420826
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: -28.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -296.883171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.883171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.883171 (E_RNA)
where:
Base-Base interactions energy: -192.257
where: short stacking energy: -103.389
Base-Backbone interact. energy: -0.008
local terms energy: -104.617823
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -31.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -317.354290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.354290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.354290 (E_RNA)
where:
Base-Base interactions energy: -215.095
where: short stacking energy: -88.480
Base-Backbone interact. energy: -0.341
local terms energy: -101.918601
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -29.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -259.900580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.900580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.900580 (E_RNA)
where:
Base-Base interactions energy: -167.787
where: short stacking energy: -83.312
Base-Backbone interact. energy: 0.946
local terms energy: -93.059262
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -199.109753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.109753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.109753 (E_RNA)
where:
Base-Base interactions energy: -110.619
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.018
local terms energy: -88.471907
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -134.409310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.409310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.409310 (E_RNA)
where:
Base-Base interactions energy: -52.819
where: short stacking energy: -52.819
Base-Backbone interact. energy: -0.950
local terms energy: -80.640466
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -112.199091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.199091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.199091 (E_RNA)
where:
Base-Base interactions energy: -49.196
where: short stacking energy: -30.907
Base-Backbone interact. energy: -0.200
local terms energy: -62.803118
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: 2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -97.823197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.823197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.823197 (E_RNA)
where:
Base-Base interactions energy: -28.382
where: short stacking energy: -24.398
Base-Backbone interact. energy: 1.583
local terms energy: -71.024159
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -99.644039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.644039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.644039 (E_RNA)
where:
Base-Base interactions energy: -41.548
where: short stacking energy: -29.059
Base-Backbone interact. energy: -0.279
local terms energy: -57.817450
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: 2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -337.470235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.470235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.470235 (E_RNA)
where:
Base-Base interactions energy: -228.430
where: short stacking energy: -101.240
Base-Backbone interact. energy: -0.151
local terms energy: -108.889213
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -30.182
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: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -325.539780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.539780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.539780 (E_RNA)
where:
Base-Base interactions energy: -227.546
where: short stacking energy: -88.965
Base-Backbone interact. energy: -1.343
local terms energy: -96.650459
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -27.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -281.649765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.649765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.649765 (E_RNA)
where:
Base-Base interactions energy: -176.254
where: short stacking energy: -90.012
Base-Backbone interact. energy: -0.010
local terms energy: -105.386485
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -21.952
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -26.859
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: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -290.196552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.196552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.196552 (E_RNA)
where:
Base-Base interactions energy: -182.967
where: short stacking energy: -95.591
Base-Backbone interact. energy: -0.601
local terms energy: -106.628626
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -28.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -324.175478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.175478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.175478 (E_RNA)
where:
Base-Base interactions energy: -219.510
where: short stacking energy: -98.020
Base-Backbone interact. energy: -0.585
local terms energy: -104.080334
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -28.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -138.273349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.273349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.273349 (E_RNA)
where:
Base-Base interactions energy: -59.590
where: short stacking energy: -48.059
Base-Backbone interact. energy: -0.088
local terms energy: -78.595597
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -191.581754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.581754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.581754 (E_RNA)
where:
Base-Base interactions energy: -121.601
where: short stacking energy: -70.608
Base-Backbone interact. energy: -0.151
local terms energy: -69.829074
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -12.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -119.884765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.884765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.884765 (E_RNA)
where:
Base-Base interactions energy: -57.382
where: short stacking energy: -39.239
Base-Backbone interact. energy: -0.238
local terms energy: -62.265260
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: 6.371
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -117.993905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.993905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.993905 (E_RNA)
where:
Base-Base interactions energy: -49.160
where: short stacking energy: -46.434
Base-Backbone interact. energy: -0.165
local terms energy: -68.668096
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -101.145941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.145941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.145941 (E_RNA)
where:
Base-Base interactions energy: -35.856
where: short stacking energy: -28.538
Base-Backbone interact. energy: 0.841
local terms energy: -66.131091
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -340.342330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.342330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.342330 (E_RNA)
where:
Base-Base interactions energy: -226.594
where: short stacking energy: -99.719
Base-Backbone interact. energy: -0.023
local terms energy: -113.725756
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -24.795
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -31.766
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: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -321.525205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.525205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.525205 (E_RNA)
where:
Base-Base interactions energy: -225.313
where: short stacking energy: -102.357
Base-Backbone interact. energy: -0.028
local terms energy: -96.184687
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -29.222
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: 166
Temperature: 1.000000
Total energy: -296.060659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.060659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.060659 (E_RNA)
where:
Base-Base interactions energy: -196.869
where: short stacking energy: -99.010
Base-Backbone interact. energy: -0.201
local terms energy: -98.990415
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -24.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -263.667657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.667657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.667657 (E_RNA)
where:
Base-Base interactions energy: -163.808
where: short stacking energy: -80.864
Base-Backbone interact. energy: -0.423
local terms energy: -99.436806
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -21.268
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -19.344
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: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -318.020837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.020837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.020837 (E_RNA)
where:
Base-Base interactions energy: -213.859
where: short stacking energy: -88.304
Base-Backbone interact. energy: -0.996
local terms energy: -103.165867
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -26.465
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: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -161.259422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.259422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.259422 (E_RNA)
where:
Base-Base interactions energy: -85.725
where: short stacking energy: -59.323
Base-Backbone interact. energy: -0.437
local terms energy: -75.097418
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -140.637341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.637341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.637341 (E_RNA)
where:
Base-Base interactions energy: -71.397
where: short stacking energy: -45.232
Base-Backbone interact. energy: -1.207
local terms energy: -68.033495
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -1.619
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: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -164.171578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.171578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.171578 (E_RNA)
where:
Base-Base interactions energy: -104.248
where: short stacking energy: -51.464
Base-Backbone interact. energy: -0.358
local terms energy: -59.565386
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -7.185
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -10.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -103.825232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.825232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.825232 (E_RNA)
where:
Base-Base interactions energy: -45.332
where: short stacking energy: -42.240
Base-Backbone interact. energy: 1.657
local terms energy: -60.149509
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -4.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -97.497892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.497892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.497892 (E_RNA)
where:
Base-Base interactions energy: -28.987
where: short stacking energy: -27.823
Base-Backbone interact. energy: -0.409
local terms energy: -68.101573
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -342.658509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.658509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.658509 (E_RNA)
where:
Base-Base interactions energy: -229.733
where: short stacking energy: -103.031
Base-Backbone interact. energy: -0.592
local terms energy: -112.333239
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -33.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -323.705689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.705689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.705689 (E_RNA)
where:
Base-Base interactions energy: -223.874
where: short stacking energy: -92.954
Base-Backbone interact. energy: -0.029
local terms energy: -99.801918
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -31.004
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: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -285.689778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.689778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.689778 (E_RNA)
where:
Base-Base interactions energy: -186.135
where: short stacking energy: -90.257
Base-Backbone interact. energy: -0.244
local terms energy: -99.310981
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -26.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -326.942307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.942307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.942307 (E_RNA)
where:
Base-Base interactions energy: -220.160
where: short stacking energy: -97.376
Base-Backbone interact. energy: -1.107
local terms energy: -105.675493
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -19.448
tors. eta vs tors. theta energy: -31.370
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: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -254.017266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.017266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.017266 (E_RNA)
where:
Base-Base interactions energy: -160.844
where: short stacking energy: -71.808
Base-Backbone interact. energy: -0.433
local terms energy: -92.740129
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -217.800824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.800824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.800824 (E_RNA)
where:
Base-Base interactions energy: -120.115
where: short stacking energy: -69.394
Base-Backbone interact. energy: 0.534
local terms energy: -98.219946
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -19.410
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: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -154.805792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.805792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.805792 (E_RNA)
where:
Base-Base interactions energy: -79.432
where: short stacking energy: -48.050
Base-Backbone interact. energy: -0.481
local terms energy: -74.892458
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -12.124
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: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -166.446674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.446674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.446674 (E_RNA)
where:
Base-Base interactions energy: -95.092
where: short stacking energy: -52.787
Base-Backbone interact. energy: -0.420
local terms energy: -70.934771
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -107.963819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.963819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.963819 (E_RNA)
where:
Base-Base interactions energy: -37.974
where: short stacking energy: -32.956
Base-Backbone interact. energy: -0.357
local terms energy: -69.632911
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -8.583
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: 2
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -108.316024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.316024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.316024 (E_RNA)
where:
Base-Base interactions energy: -36.519
where: short stacking energy: -31.139
Base-Backbone interact. energy: -1.447
local terms energy: -70.350104
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -341.255193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.255193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.255193 (E_RNA)
where:
Base-Base interactions energy: -228.927
where: short stacking energy: -104.109
Base-Backbone interact. energy: -0.912
local terms energy: -111.416565
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -33.681
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: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -324.011549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.011549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.011549 (E_RNA)
where:
Base-Base interactions energy: -219.834
where: short stacking energy: -88.849
Base-Backbone interact. energy: -0.824
local terms energy: -103.353437
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -29.772
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: 168
Temperature: 1.000000
Total energy: -337.919724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.919724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.919724 (E_RNA)
where:
Base-Base interactions energy: -223.808
where: short stacking energy: -99.497
Base-Backbone interact. energy: -0.164
local terms energy: -113.947210
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -33.478
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: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -292.901698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.901698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.901698 (E_RNA)
where:
Base-Base interactions energy: -189.322
where: short stacking energy: -87.801
Base-Backbone interact. energy: -0.418
local terms energy: -103.161420
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -25.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -273.125614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.125614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.125614 (E_RNA)
where:
Base-Base interactions energy: -163.740
where: short stacking energy: -79.607
Base-Backbone interact. energy: -1.407
local terms energy: -107.978782
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -29.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -199.009691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.009691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.009691 (E_RNA)
where:
Base-Base interactions energy: -107.028
where: short stacking energy: -67.024
Base-Backbone interact. energy: -0.044
local terms energy: -91.937413
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -178.032026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.032026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.032026 (E_RNA)
where:
Base-Base interactions energy: -104.289
where: short stacking energy: -64.146
Base-Backbone interact. energy: -0.118
local terms energy: -73.624317
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -153.443155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.443155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.443155 (E_RNA)
where:
Base-Base interactions energy: -80.208
where: short stacking energy: -39.388
Base-Backbone interact. energy: -0.343
local terms energy: -72.891602
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -118.320034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.320034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.320034 (E_RNA)
where:
Base-Base interactions energy: -50.058
where: short stacking energy: -45.654
Base-Backbone interact. energy: 1.032
local terms energy: -69.294033
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -104.684354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.684354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.684354 (E_RNA)
where:
Base-Base interactions energy: -46.433
where: short stacking energy: -33.030
Base-Backbone interact. energy: -0.418
local terms energy: -57.833046
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -343.333060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.333060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.333060 (E_RNA)
where:
Base-Base interactions energy: -227.284
where: short stacking energy: -104.905
Base-Backbone interact. energy: -0.712
local terms energy: -115.337102
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -21.832
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -31.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -344.050669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.050669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.050669 (E_RNA)
where:
Base-Base interactions energy: -232.649
where: short stacking energy: -93.997
Base-Backbone interact. energy: -0.063
local terms energy: -111.338561
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -25.210
flat angles C4'-P-C4' energy: -23.760
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -28.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -311.975397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.975397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.975397 (E_RNA)
where:
Base-Base interactions energy: -211.148
where: short stacking energy: -83.869
Base-Backbone interact. energy: -0.296
local terms energy: -100.531330
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -25.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -288.983752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.983752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.983752 (E_RNA)
where:
Base-Base interactions energy: -195.148
where: short stacking energy: -91.018
Base-Backbone interact. energy: -0.030
local terms energy: -93.804947
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -24.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -271.604866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.604866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.604866 (E_RNA)
where:
Base-Base interactions energy: -180.897
where: short stacking energy: -82.748
Base-Backbone interact. energy: 0.143
local terms energy: -90.850361
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -21.828
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: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -215.758049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.758049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.758049 (E_RNA)
where:
Base-Base interactions energy: -117.300
where: short stacking energy: -59.183
Base-Backbone interact. energy: -0.905
local terms energy: -97.552510
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -184.864123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.864123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.864123 (E_RNA)
where:
Base-Base interactions energy: -103.734
where: short stacking energy: -48.640
Base-Backbone interact. energy: -0.408
local terms energy: -80.722212
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -111.432348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.432348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.432348 (E_RNA)
where:
Base-Base interactions energy: -45.751
where: short stacking energy: -42.233
Base-Backbone interact. energy: -0.771
local terms energy: -64.910416
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -1.042
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: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -157.619396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.619396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.619396 (E_RNA)
where:
Base-Base interactions energy: -79.318
where: short stacking energy: -57.219
Base-Backbone interact. energy: -0.130
local terms energy: -78.171637
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -12.732
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: 10, replica: 2
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -100.609761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.609761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.609761 (E_RNA)
where:
Base-Base interactions energy: -29.406
where: short stacking energy: -25.232
Base-Backbone interact. energy: -0.824
local terms energy: -70.379732
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -7.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -333.073687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.073687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.073687 (E_RNA)
where:
Base-Base interactions energy: -215.641
where: short stacking energy: -98.323
Base-Backbone interact. energy: -0.523
local terms energy: -116.910270
where:
bonds (distance) C4'-P energy: -25.877
bonds (distance) P-C4' energy: -22.723
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -32.982
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: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -341.242356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.242356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.242356 (E_RNA)
where:
Base-Base interactions energy: -231.602
where: short stacking energy: -105.532
Base-Backbone interact. energy: -0.941
local terms energy: -108.699970
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -24.987
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -34.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -328.291431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.291431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.291431 (E_RNA)
where:
Base-Base interactions energy: -222.514
where: short stacking energy: -94.932
Base-Backbone interact. energy: -0.370
local terms energy: -105.408171
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -29.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -283.623906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.623906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.623906 (E_RNA)
where:
Base-Base interactions energy: -173.438
where: short stacking energy: -91.737
Base-Backbone interact. energy: -0.075
local terms energy: -110.110281
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -27.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -269.150670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.150670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.150670 (E_RNA)
where:
Base-Base interactions energy: -168.004
where: short stacking energy: -88.276
Base-Backbone interact. energy: -0.391
local terms energy: -100.755684
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -28.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -202.981581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.981581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.981581 (E_RNA)
where:
Base-Base interactions energy: -113.752
where: short stacking energy: -70.004
Base-Backbone interact. energy: -0.600
local terms energy: -88.629319
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -179.153139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.153139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.153139 (E_RNA)
where:
Base-Base interactions energy: -99.484
where: short stacking energy: -58.994
Base-Backbone interact. energy: -0.245
local terms energy: -79.423821
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -13.661
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: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -121.882334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.882334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.882334 (E_RNA)
where:
Base-Base interactions energy: -43.742
where: short stacking energy: -43.742
Base-Backbone interact. energy: -0.012
local terms energy: -78.128464
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -150.560342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.560342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.560342 (E_RNA)
where:
Base-Base interactions energy: -73.819
where: short stacking energy: -42.336
Base-Backbone interact. energy: -0.713
local terms energy: -76.029131
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -114.717527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.717527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.717527 (E_RNA)
where:
Base-Base interactions energy: -35.797
where: short stacking energy: -34.670
Base-Backbone interact. energy: 0.901
local terms energy: -79.820707
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -339.780288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.780288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.780288 (E_RNA)
where:
Base-Base interactions energy: -230.683
where: short stacking energy: -99.874
Base-Backbone interact. energy: 0.677
local terms energy: -109.774806
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -28.483
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: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -342.465803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.465803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.465803 (E_RNA)
where:
Base-Base interactions energy: -230.684
where: short stacking energy: -110.527
Base-Backbone interact. energy: -0.280
local terms energy: -111.501602
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -32.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -325.613000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.613000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.613000 (E_RNA)
where:
Base-Base interactions energy: -226.573
where: short stacking energy: -87.017
Base-Backbone interact. energy: 0.424
local terms energy: -99.463448
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -25.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -272.783112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.783112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.783112 (E_RNA)
where:
Base-Base interactions energy: -171.475
where: short stacking energy: -89.415
Base-Backbone interact. energy: -0.006
local terms energy: -101.302150
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -25.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -261.460048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.460048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.460048 (E_RNA)
where:
Base-Base interactions energy: -165.663
where: short stacking energy: -72.756
Base-Backbone interact. energy: 0.303
local terms energy: -96.099676
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -219.172482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.172482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.172482 (E_RNA)
where:
Base-Base interactions energy: -126.010
where: short stacking energy: -70.163
Base-Backbone interact. energy: -0.300
local terms energy: -92.862134
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -19.469
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: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -172.355835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.355835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.355835 (E_RNA)
where:
Base-Base interactions energy: -92.430
where: short stacking energy: -38.916
Base-Backbone interact. energy: -0.668
local terms energy: -79.258244
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -132.569885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.569885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.569885 (E_RNA)
where:
Base-Base interactions energy: -71.650
where: short stacking energy: -51.493
Base-Backbone interact. energy: 0.243
local terms energy: -61.163192
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -103.799465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.799465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.799465 (E_RNA)
where:
Base-Base interactions energy: -43.539
where: short stacking energy: -33.811
Base-Backbone interact. energy: -0.156
local terms energy: -60.104131
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: 4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -113.660465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.660465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.660465 (E_RNA)
where:
Base-Base interactions energy: -54.628
where: short stacking energy: -27.289
Base-Backbone interact. energy: 1.268
local terms energy: -60.300566
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -349.191894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.191894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.191894 (E_RNA)
where:
Base-Base interactions energy: -232.775
where: short stacking energy: -103.993
Base-Backbone interact. energy: -0.789
local terms energy: -115.627847
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -34.425
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: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -340.935021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.935021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.935021 (E_RNA)
where:
Base-Base interactions energy: -228.524
where: short stacking energy: -103.226
Base-Backbone interact. energy: -0.881
local terms energy: -111.529704
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -22.804
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -34.380
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: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -296.592198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.592198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.592198 (E_RNA)
where:
Base-Base interactions energy: -195.380
where: short stacking energy: -82.693
Base-Backbone interact. energy: -1.251
local terms energy: -99.961470
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -19.596
tors. eta vs tors. theta energy: -25.668
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: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -322.418445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.418445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.418445 (E_RNA)
where:
Base-Base interactions energy: -223.142
where: short stacking energy: -85.258
Base-Backbone interact. energy: -0.687
local terms energy: -98.589292
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -30.110
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: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -246.494444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.494444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.494444 (E_RNA)
where:
Base-Base interactions energy: -157.936
where: short stacking energy: -83.773
Base-Backbone interact. energy: -0.191
local terms energy: -88.367146
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -9.785
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: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -261.096442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.096442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.096442 (E_RNA)
where:
Base-Base interactions energy: -156.581
where: short stacking energy: -77.857
Base-Backbone interact. energy: -1.057
local terms energy: -103.458828
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -22.885
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: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -188.933985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.933985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.933985 (E_RNA)
where:
Base-Base interactions energy: -109.791
where: short stacking energy: -53.751
Base-Backbone interact. energy: -0.171
local terms energy: -78.971917
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -15.085
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: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -116.943130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.943130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.943130 (E_RNA)
where:
Base-Base interactions energy: -44.393
where: short stacking energy: -36.982
Base-Backbone interact. energy: -0.534
local terms energy: -72.016180
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -6.549
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: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -112.289798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.289798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.289798 (E_RNA)
where:
Base-Base interactions energy: -58.292
where: short stacking energy: -39.437
Base-Backbone interact. energy: -0.191
local terms energy: -53.806805
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -10.482
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: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -89.135337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.135337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.135337 (E_RNA)
where:
Base-Base interactions energy: -27.881
where: short stacking energy: -27.881
Base-Backbone interact. energy: 0.654
local terms energy: -61.908507
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: 0.011
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: 173
Temperature: 0.900000
Total energy: -347.265540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.265540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.265540 (E_RNA)
where:
Base-Base interactions energy: -232.532
where: short stacking energy: -102.678
Base-Backbone interact. energy: -2.026
local terms energy: -112.707586
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -19.493
tors. eta vs tors. theta energy: -32.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -358.022538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.022538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.022538 (E_RNA)
where:
Base-Base interactions energy: -242.461
where: short stacking energy: -110.690
Base-Backbone interact. energy: -0.061
local terms energy: -115.500866
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -33.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -298.113881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.113881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.113881 (E_RNA)
where:
Base-Base interactions energy: -199.576
where: short stacking energy: -98.923
Base-Backbone interact. energy: -0.570
local terms energy: -97.966957
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -27.828
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: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -325.169187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.169187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.169187 (E_RNA)
where:
Base-Base interactions energy: -219.806
where: short stacking energy: -96.013
Base-Backbone interact. energy: -0.003
local terms energy: -105.360573
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -32.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -243.924646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.924646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.924646 (E_RNA)
where:
Base-Base interactions energy: -155.702
where: short stacking energy: -68.535
Base-Backbone interact. energy: -0.845
local terms energy: -87.377777
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -23.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -251.789652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.789652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.789652 (E_RNA)
where:
Base-Base interactions energy: -159.786
where: short stacking energy: -75.269
Base-Backbone interact. energy: -0.652
local terms energy: -91.351501
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -21.592
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: 173
Temperature: 1.200000
Total energy: -238.573546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.573546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.573546 (E_RNA)
where:
Base-Base interactions energy: -158.250
where: short stacking energy: -68.655
Base-Backbone interact. energy: 0.331
local terms energy: -80.654646
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -109.400262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.400262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.400262 (E_RNA)
where:
Base-Base interactions energy: -48.272
where: short stacking energy: -35.004
Base-Backbone interact. energy: -0.306
local terms energy: -60.822765
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: 5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -110.992180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.992180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.992180 (E_RNA)
where:
Base-Base interactions energy: -45.120
where: short stacking energy: -40.723
Base-Backbone interact. energy: -0.486
local terms energy: -65.386272
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -5.842
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: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -101.072360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.072360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.072360 (E_RNA)
where:
Base-Base interactions energy: -33.926
where: short stacking energy: -34.226
Base-Backbone interact. energy: 0.589
local terms energy: -67.736077
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -5.029
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: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -349.231398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.231398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.231398 (E_RNA)
where:
Base-Base interactions energy: -235.963
where: short stacking energy: -101.683
Base-Backbone interact. energy: -1.001
local terms energy: -112.267478
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -29.236
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: 2, replica: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -347.454510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.454510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.454510 (E_RNA)
where:
Base-Base interactions energy: -230.608
where: short stacking energy: -99.447
Base-Backbone interact. energy: -1.780
local terms energy: -115.066801
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -23.680
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -30.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -294.104627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.104627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.104627 (E_RNA)
where:
Base-Base interactions energy: -184.007
where: short stacking energy: -95.730
Base-Backbone interact. energy: -0.009
local terms energy: -110.088888
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -24.275
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -28.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -319.703872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.703872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.703872 (E_RNA)
where:
Base-Base interactions energy: -227.844
where: short stacking energy: -94.652
Base-Backbone interact. energy: -0.298
local terms energy: -91.562274
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -30.968
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: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -273.569236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.569236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.569236 (E_RNA)
where:
Base-Base interactions energy: -179.865
where: short stacking energy: -69.058
Base-Backbone interact. energy: -1.520
local terms energy: -92.184006
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -21.093
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -15.381
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: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -257.734383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.734383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.734383 (E_RNA)
where:
Base-Base interactions energy: -169.036
where: short stacking energy: -76.887
Base-Backbone interact. energy: -0.181
local terms energy: -88.517162
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -22.747
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: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -254.022032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.022032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.022032 (E_RNA)
where:
Base-Base interactions energy: -159.396
where: short stacking energy: -75.443
Base-Backbone interact. energy: -0.471
local terms energy: -94.154794
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -124.546263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.546263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.546263 (E_RNA)
where:
Base-Base interactions energy: -57.836
where: short stacking energy: -46.944
Base-Backbone interact. energy: -1.038
local terms energy: -65.672078
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -13.533
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: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -97.030061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.030061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.030061 (E_RNA)
where:
Base-Base interactions energy: -38.059
where: short stacking energy: -25.015
Base-Backbone interact. energy: 5.019
local terms energy: -63.989907
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: 0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -108.964530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.964530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.964530 (E_RNA)
where:
Base-Base interactions energy: -43.529
where: short stacking energy: -30.795
Base-Backbone interact. energy: 0.152
local terms energy: -65.587709
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -343.570345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.570345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.570345 (E_RNA)
where:
Base-Base interactions energy: -226.635
where: short stacking energy: -99.657
Base-Backbone interact. energy: -1.195
local terms energy: -115.739714
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -31.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -328.767660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.767660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.767660 (E_RNA)
where:
Base-Base interactions energy: -217.665
where: short stacking energy: -94.983
Base-Backbone interact. energy: -0.565
local terms energy: -110.538377
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -30.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -286.766727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.766727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.766727 (E_RNA)
where:
Base-Base interactions energy: -175.471
where: short stacking energy: -88.748
Base-Backbone interact. energy: -0.247
local terms energy: -111.048774
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -19.039
tors. eta vs tors. theta energy: -26.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -328.191571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.191571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.191571 (E_RNA)
where:
Base-Base interactions energy: -223.474
where: short stacking energy: -100.259
Base-Backbone interact. energy: -0.764
local terms energy: -103.953399
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -31.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -307.602117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.602117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.602117 (E_RNA)
where:
Base-Base interactions energy: -205.479
where: short stacking energy: -91.416
Base-Backbone interact. energy: -0.085
local terms energy: -102.037934
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -31.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -273.329232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.329232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.329232 (E_RNA)
where:
Base-Base interactions energy: -177.984
where: short stacking energy: -79.722
Base-Backbone interact. energy: -0.108
local terms energy: -95.236992
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -21.781
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: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -248.736442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.736442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.736442 (E_RNA)
where:
Base-Base interactions energy: -161.238
where: short stacking energy: -78.259
Base-Backbone interact. energy: -0.374
local terms energy: -87.124436
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -26.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -119.120702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.120702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.120702 (E_RNA)
where:
Base-Base interactions energy: -43.151
where: short stacking energy: -43.151
Base-Backbone interact. energy: -0.057
local terms energy: -75.912883
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -7.064
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: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -98.998801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.998801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.998801 (E_RNA)
where:
Base-Base interactions energy: -28.970
where: short stacking energy: -26.117
Base-Backbone interact. energy: -0.399
local terms energy: -69.629459
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -15.324
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: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -106.645079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.645079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.645079 (E_RNA)
where:
Base-Base interactions energy: -42.408
where: short stacking energy: -37.411
Base-Backbone interact. energy: -0.725
local terms energy: -63.511959
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -346.446558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.446558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.446558 (E_RNA)
where:
Base-Base interactions energy: -223.644
where: short stacking energy: -97.301
Base-Backbone interact. energy: -1.518
local terms energy: -121.284173
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -24.081
flat angles P-C4'-P energy: -19.685
tors. eta vs tors. theta energy: -34.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -334.871165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.871165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.871165 (E_RNA)
where:
Base-Base interactions energy: -225.280
where: short stacking energy: -99.432
Base-Backbone interact. energy: 0.462
local terms energy: -110.053210
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -32.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -321.073352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.073352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.073352 (E_RNA)
where:
Base-Base interactions energy: -215.927
where: short stacking energy: -99.434
Base-Backbone interact. energy: -0.022
local terms energy: -105.124148
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -30.130
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: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -273.492391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.492391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.492391 (E_RNA)
where:
Base-Base interactions energy: -172.367
where: short stacking energy: -88.633
Base-Backbone interact. energy: -0.001
local terms energy: -101.125043
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -21.705
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -25.363
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: 176
Temperature: 1.100000
Total energy: -319.075094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.075094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.075094 (E_RNA)
where:
Base-Base interactions energy: -209.680
where: short stacking energy: -91.945
Base-Backbone interact. energy: -1.038
local terms energy: -108.357201
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -29.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -260.395475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.395475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.395475 (E_RNA)
where:
Base-Base interactions energy: -167.103
where: short stacking energy: -80.653
Base-Backbone interact. energy: 2.908
local terms energy: -96.199849
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -27.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -247.532687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.532687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.532687 (E_RNA)
where:
Base-Base interactions energy: -167.895
where: short stacking energy: -79.188
Base-Backbone interact. energy: -0.281
local terms energy: -79.357355
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -119.511939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.511939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.511939 (E_RNA)
where:
Base-Base interactions energy: -45.577
where: short stacking energy: -45.577
Base-Backbone interact. energy: 0.350
local terms energy: -74.284875
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -12.193
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: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -122.421471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.421471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.421471 (E_RNA)
where:
Base-Base interactions energy: -47.799
where: short stacking energy: -38.858
Base-Backbone interact. energy: -1.196
local terms energy: -73.426290
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -104.605590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.605590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.605590 (E_RNA)
where:
Base-Base interactions energy: -39.645
where: short stacking energy: -39.645
Base-Backbone interact. energy: 0.436
local terms energy: -65.396951
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -11.664
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: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -347.298559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.298559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.298559 (E_RNA)
where:
Base-Base interactions energy: -224.333
where: short stacking energy: -94.784
Base-Backbone interact. energy: -0.900
local terms energy: -122.065982
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -23.342
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -32.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -328.622443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.622443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.622443 (E_RNA)
where:
Base-Base interactions energy: -220.914
where: short stacking energy: -82.674
Base-Backbone interact. energy: -0.180
local terms energy: -107.528210
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -29.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -343.135800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.135800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.135800 (E_RNA)
where:
Base-Base interactions energy: -221.645
where: short stacking energy: -104.518
Base-Backbone interact. energy: -1.190
local terms energy: -120.300853
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -22.352
flat angles C4'-P-C4' energy: -26.097
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -34.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -323.429126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.429126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.429126 (E_RNA)
where:
Base-Base interactions energy: -206.416
where: short stacking energy: -91.616
Base-Backbone interact. energy: -2.047
local terms energy: -114.965974
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -30.849
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: 177
Temperature: 1.100000
Total energy: -265.759688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.759688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.759688 (E_RNA)
where:
Base-Base interactions energy: -163.440
where: short stacking energy: -76.145
Base-Backbone interact. energy: -0.803
local terms energy: -101.516930
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -19.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -252.790650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.790650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.790650 (E_RNA)
where:
Base-Base interactions energy: -157.986
where: short stacking energy: -86.346
Base-Backbone interact. energy: -0.878
local terms energy: -93.926947
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -14.209
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: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -249.338936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.338936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.338936 (E_RNA)
where:
Base-Base interactions energy: -161.801
where: short stacking energy: -79.267
Base-Backbone interact. energy: -0.643
local terms energy: -86.895772
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -19.682
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: 177
Temperature: 1.250000
Total energy: -118.033534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.033534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.033534 (E_RNA)
where:
Base-Base interactions energy: -50.813
where: short stacking energy: -40.400
Base-Backbone interact. energy: -0.198
local terms energy: -67.022621
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -107.631539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.631539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.631539 (E_RNA)
where:
Base-Base interactions energy: -41.633
where: short stacking energy: -41.587
Base-Backbone interact. energy: -0.110
local terms energy: -65.887971
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -109.777513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.777513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.777513 (E_RNA)
where:
Base-Base interactions energy: -43.125
where: short stacking energy: -38.020
Base-Backbone interact. energy: 2.022
local terms energy: -68.674542
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -344.652592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.652592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.652592 (E_RNA)
where:
Base-Base interactions energy: -229.851
where: short stacking energy: -108.319
Base-Backbone interact. energy: -2.460
local terms energy: -112.341713
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -32.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -326.655169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.655169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.655169 (E_RNA)
where:
Base-Base interactions energy: -211.077
where: short stacking energy: -85.019
Base-Backbone interact. energy: -0.281
local terms energy: -115.296910
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -30.410
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: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -331.090268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.090268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.090268 (E_RNA)
where:
Base-Base interactions energy: -221.992
where: short stacking energy: -102.128
Base-Backbone interact. energy: -1.002
local terms energy: -108.096776
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -30.837
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: 178
Temperature: 1.050000
Total energy: -334.775415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.775415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.775415 (E_RNA)
where:
Base-Base interactions energy: -229.355
where: short stacking energy: -94.548
Base-Backbone interact. energy: -0.656
local terms energy: -104.764583
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -32.976
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: 178
Temperature: 1.100000
Total energy: -264.167055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.167055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.167055 (E_RNA)
where:
Base-Base interactions energy: -170.638
where: short stacking energy: -86.466
Base-Backbone interact. energy: -1.906
local terms energy: -91.622771
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -25.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -256.193768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.193768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.193768 (E_RNA)
where:
Base-Base interactions energy: -163.026
where: short stacking energy: -83.977
Base-Backbone interact. energy: -1.232
local terms energy: -91.936202
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -25.227
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: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -255.790382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.790382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.790382 (E_RNA)
where:
Base-Base interactions energy: -165.084
where: short stacking energy: -75.516
Base-Backbone interact. energy: -0.263
local terms energy: -90.443108
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -13.045
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: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -103.273227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.273227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.273227 (E_RNA)
where:
Base-Base interactions energy: -39.252
where: short stacking energy: -34.711
Base-Backbone interact. energy: -0.286
local terms energy: -63.735149
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -107.594427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.594427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.594427 (E_RNA)
where:
Base-Base interactions energy: -47.283
where: short stacking energy: -45.568
Base-Backbone interact. energy: -0.066
local terms energy: -60.246004
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -95.932409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.932409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.932409 (E_RNA)
where:
Base-Base interactions energy: -29.739
where: short stacking energy: -25.332
Base-Backbone interact. energy: -1.142
local terms energy: -65.051888
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -12.151
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: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -357.978235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.978235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.978235 (E_RNA)
where:
Base-Base interactions energy: -239.836
where: short stacking energy: -105.717
Base-Backbone interact. energy: -2.051
local terms energy: -116.090763
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -33.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -338.889163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.889163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.889163 (E_RNA)
where:
Base-Base interactions energy: -226.659
where: short stacking energy: -99.538
Base-Backbone interact. energy: -1.357
local terms energy: -110.873536
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -34.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -322.679285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.679285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.679285 (E_RNA)
where:
Base-Base interactions energy: -222.747
where: short stacking energy: -91.270
Base-Backbone interact. energy: -1.169
local terms energy: -98.762903
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -29.238
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: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -327.868523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.868523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.868523 (E_RNA)
where:
Base-Base interactions energy: -215.743
where: short stacking energy: -98.754
Base-Backbone interact. energy: -0.562
local terms energy: -111.562878
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -29.271
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: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -261.532371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.532371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.532371 (E_RNA)
where:
Base-Base interactions energy: -169.002
where: short stacking energy: -89.713
Base-Backbone interact. energy: -0.244
local terms energy: -92.286351
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -250.134995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.134995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.134995 (E_RNA)
where:
Base-Base interactions energy: -151.268
where: short stacking energy: -82.534
Base-Backbone interact. energy: -0.415
local terms energy: -98.451548
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -23.736
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -21.344
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: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -247.551132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.551132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.551132 (E_RNA)
where:
Base-Base interactions energy: -154.737
where: short stacking energy: -80.809
Base-Backbone interact. energy: -1.493
local terms energy: -91.320880
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -22.600
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: 179
Temperature: 1.250000
Total energy: -106.200056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.200056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.200056 (E_RNA)
where:
Base-Base interactions energy: -32.875
where: short stacking energy: -32.528
Base-Backbone interact. energy: 0.117
local terms energy: -73.442642
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -5.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -132.162652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.162652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.162652 (E_RNA)
where:
Base-Base interactions energy: -57.639
where: short stacking energy: -51.100
Base-Backbone interact. energy: -1.198
local terms energy: -73.325554
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -11.295
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: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -97.711139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.711139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.711139 (E_RNA)
where:
Base-Base interactions energy: -46.084
where: short stacking energy: -28.431
Base-Backbone interact. energy: -0.313
local terms energy: -51.313563
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: 5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -351.355891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.355891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.355891 (E_RNA)
where:
Base-Base interactions energy: -233.495
where: short stacking energy: -106.171
Base-Backbone interact. energy: -2.223
local terms energy: -115.637152
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -33.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -340.709544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.709544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.709544 (E_RNA)
where:
Base-Base interactions energy: -223.024
where: short stacking energy: -105.233
Base-Backbone interact. energy: -1.507
local terms energy: -116.178624
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: -33.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -328.042283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.042283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.042283 (E_RNA)
where:
Base-Base interactions energy: -223.265
where: short stacking energy: -90.641
Base-Backbone interact. energy: -0.553
local terms energy: -104.223702
where:
bonds (distance) C4'-P energy: -20.004
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -30.029
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: 180
Temperature: 1.050000
Total energy: -323.463107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.463107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.463107 (E_RNA)
where:
Base-Base interactions energy: -210.838
where: short stacking energy: -90.927
Base-Backbone interact. energy: -1.600
local terms energy: -111.025215
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -29.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -263.465045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.465045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.465045 (E_RNA)
where:
Base-Base interactions energy: -162.781
where: short stacking energy: -78.900
Base-Backbone interact. energy: -0.353
local terms energy: -100.330786
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -24.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -253.421673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.421673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.421673 (E_RNA)
where:
Base-Base interactions energy: -156.840
where: short stacking energy: -82.356
Base-Backbone interact. energy: -0.319
local terms energy: -96.262681
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -18.642
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: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -245.999605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.999605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.999605 (E_RNA)
where:
Base-Base interactions energy: -157.851
where: short stacking energy: -72.694
Base-Backbone interact. energy: -0.486
local terms energy: -87.662109
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -13.618
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: 8, replica: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -118.552192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.552192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.552192 (E_RNA)
where:
Base-Base interactions energy: -50.045
where: short stacking energy: -34.065
Base-Backbone interact. energy: -1.053
local terms energy: -67.453807
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -114.862607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.862607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.862607 (E_RNA)
where:
Base-Base interactions energy: -41.407
where: short stacking energy: -36.581
Base-Backbone interact. energy: -0.924
local terms energy: -72.532028
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -97.044238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.044238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.044238 (E_RNA)
where:
Base-Base interactions energy: -37.984
where: short stacking energy: -27.965
Base-Backbone interact. energy: -1.517
local terms energy: -57.542778
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: 2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -334.413056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.413056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.413056 (E_RNA)
where:
Base-Base interactions energy: -222.797
where: short stacking energy: -96.875
Base-Backbone interact. energy: 1.075
local terms energy: -112.691139
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -29.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -334.343219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.343219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.343219 (E_RNA)
where:
Base-Base interactions energy: -220.408
where: short stacking energy: -89.134
Base-Backbone interact. energy: -0.009
local terms energy: -113.925897
where:
bonds (distance) C4'-P energy: -23.778
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -31.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -331.025173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.025173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.025173 (E_RNA)
where:
Base-Base interactions energy: -220.382
where: short stacking energy: -90.995
Base-Backbone interact. energy: -0.033
local terms energy: -110.609970
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -28.145
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: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -324.698653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.698653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.698653 (E_RNA)
where:
Base-Base interactions energy: -215.357
where: short stacking energy: -92.886
Base-Backbone interact. energy: -1.670
local terms energy: -107.671883
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -32.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -258.272062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.272062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.272062 (E_RNA)
where:
Base-Base interactions energy: -169.321
where: short stacking energy: -78.440
Base-Backbone interact. energy: -0.373
local terms energy: -88.578014
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -266.648295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.648295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.648295 (E_RNA)
where:
Base-Base interactions energy: -170.753
where: short stacking energy: -78.335
Base-Backbone interact. energy: -0.226
local terms energy: -95.669443
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -22.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -233.611880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.611880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.611880 (E_RNA)
where:
Base-Base interactions energy: -149.237
where: short stacking energy: -68.983
Base-Backbone interact. energy: -0.103
local terms energy: -84.271973
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -10.282
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: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -126.876524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.876524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.876524 (E_RNA)
where:
Base-Base interactions energy: -63.677
where: short stacking energy: -35.783
Base-Backbone interact. energy: 0.108
local terms energy: -63.307859
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: 1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -111.690058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.690058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.690058 (E_RNA)
where:
Base-Base interactions energy: -38.501
where: short stacking energy: -38.501
Base-Backbone interact. energy: 0.781
local terms energy: -73.969857
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -96.506976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.506976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.506976 (E_RNA)
where:
Base-Base interactions energy: -41.451
where: short stacking energy: -38.256
Base-Backbone interact. energy: -0.197
local terms energy: -54.859036
where:
bonds (distance) C4'-P energy: -3.192
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -12.025
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: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -355.974215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.974215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.974215 (E_RNA)
where:
Base-Base interactions energy: -231.113
where: short stacking energy: -100.883
Base-Backbone interact. energy: -1.990
local terms energy: -122.871396
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -33.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -330.921601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.921601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.921601 (E_RNA)
where:
Base-Base interactions energy: -221.328
where: short stacking energy: -88.329
Base-Backbone interact. energy: -1.685
local terms energy: -107.908051
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -30.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -340.608546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.608546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.608546 (E_RNA)
where:
Base-Base interactions energy: -236.475
where: short stacking energy: -98.075
Base-Backbone interact. energy: -2.176
local terms energy: -101.957566
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -25.900
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: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -333.023839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.023839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.023839 (E_RNA)
where:
Base-Base interactions energy: -217.206
where: short stacking energy: -100.297
Base-Backbone interact. energy: -0.910
local terms energy: -114.907769
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -22.530
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -33.734
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: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -264.267200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.267200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.267200 (E_RNA)
where:
Base-Base interactions energy: -170.071
where: short stacking energy: -77.070
Base-Backbone interact. energy: -0.019
local terms energy: -94.176869
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -263.574084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.574084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.574084 (E_RNA)
where:
Base-Base interactions energy: -163.262
where: short stacking energy: -84.516
Base-Backbone interact. energy: -0.430
local terms energy: -99.881779
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -249.200236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.200236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.200236 (E_RNA)
where:
Base-Base interactions energy: -169.702
where: short stacking energy: -77.751
Base-Backbone interact. energy: 0.197
local terms energy: -79.695689
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -177.938822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.938822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.938822 (E_RNA)
where:
Base-Base interactions energy: -122.554
where: short stacking energy: -45.835
Base-Backbone interact. energy: -0.351
local terms energy: -55.033214
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -113.615535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.615535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.615535 (E_RNA)
where:
Base-Base interactions energy: -42.254
where: short stacking energy: -42.238
Base-Backbone interact. energy: -0.268
local terms energy: -71.093800
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -91.514473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.514473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.514473 (E_RNA)
where:
Base-Base interactions energy: -34.328
where: short stacking energy: -31.076
Base-Backbone interact. energy: 0.191
local terms energy: -57.377436
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -346.723983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.723983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.723983 (E_RNA)
where:
Base-Base interactions energy: -236.229
where: short stacking energy: -103.871
Base-Backbone interact. energy: -0.627
local terms energy: -109.868263
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -31.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -333.076236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.076236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.076236 (E_RNA)
where:
Base-Base interactions energy: -221.005
where: short stacking energy: -88.245
Base-Backbone interact. energy: -0.444
local terms energy: -111.627478
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -31.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -329.357774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.357774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.357774 (E_RNA)
where:
Base-Base interactions energy: -223.108
where: short stacking energy: -100.055
Base-Backbone interact. energy: -0.325
local terms energy: -105.925662
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -20.633
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -29.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -285.441834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.441834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.441834 (E_RNA)
where:
Base-Base interactions energy: -178.743
where: short stacking energy: -86.735
Base-Backbone interact. energy: 0.123
local terms energy: -106.822055
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -26.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -316.798994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.798994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.798994 (E_RNA)
where:
Base-Base interactions energy: -214.594
where: short stacking energy: -88.068
Base-Backbone interact. energy: -1.422
local terms energy: -100.782948
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -30.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -269.502495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.502495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.502495 (E_RNA)
where:
Base-Base interactions energy: -173.986
where: short stacking energy: -81.003
Base-Backbone interact. energy: 0.571
local terms energy: -96.087039
where:
bonds (distance) C4'-P energy: -23.272
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -27.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -247.554048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.554048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.554048 (E_RNA)
where:
Base-Base interactions energy: -158.746
where: short stacking energy: -74.984
Base-Backbone interact. energy: -0.237
local terms energy: -88.570403
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -113.772216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.772216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.772216 (E_RNA)
where:
Base-Base interactions energy: -45.988
where: short stacking energy: -43.075
Base-Backbone interact. energy: -0.052
local terms energy: -67.733023
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -171.660853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.660853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.660853 (E_RNA)
where:
Base-Base interactions energy: -95.355
where: short stacking energy: -53.243
Base-Backbone interact. energy: 0.179
local terms energy: -76.484589
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -21.965
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -98.868779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.868779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.868779 (E_RNA)
where:
Base-Base interactions energy: -37.567
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.797
local terms energy: -60.504716
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -334.284661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.284661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.284661 (E_RNA)
where:
Base-Base interactions energy: -221.014
where: short stacking energy: -95.050
Base-Backbone interact. energy: -0.394
local terms energy: -112.876508
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -26.075
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -30.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -330.000726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.000726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.000726 (E_RNA)
where:
Base-Base interactions energy: -223.916
where: short stacking energy: -100.059
Base-Backbone interact. energy: -0.115
local terms energy: -105.970154
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -29.824
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: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -332.991006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.991006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.991006 (E_RNA)
where:
Base-Base interactions energy: -215.673
where: short stacking energy: -95.407
Base-Backbone interact. energy: -1.258
local terms energy: -116.059106
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -30.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -274.695534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.695534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.695534 (E_RNA)
where:
Base-Base interactions energy: -178.670
where: short stacking energy: -86.483
Base-Backbone interact. energy: -1.785
local terms energy: -94.240889
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -23.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -307.004905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.004905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.004905 (E_RNA)
where:
Base-Base interactions energy: -207.439
where: short stacking energy: -78.648
Base-Backbone interact. energy: -0.221
local terms energy: -99.344851
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -26.183
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: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -240.816279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.816279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.816279 (E_RNA)
where:
Base-Base interactions energy: -151.606
where: short stacking energy: -70.574
Base-Backbone interact. energy: -0.161
local terms energy: -89.050105
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -240.043129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.043129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.043129 (E_RNA)
where:
Base-Base interactions energy: -157.926
where: short stacking energy: -74.471
Base-Backbone interact. energy: -0.308
local terms energy: -81.808619
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -21.430
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -19.184
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: 2
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -119.578148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.578148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.578148 (E_RNA)
where:
Base-Base interactions energy: -57.185
where: short stacking energy: -43.682
Base-Backbone interact. energy: 0.231
local terms energy: -62.624812
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -99.788703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.788703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.788703 (E_RNA)
where:
Base-Base interactions energy: -29.720
where: short stacking energy: -27.695
Base-Backbone interact. energy: -0.328
local terms energy: -69.740192
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -1.704
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: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -105.260705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.260705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.260705 (E_RNA)
where:
Base-Base interactions energy: -41.289
where: short stacking energy: -37.138
Base-Backbone interact. energy: -0.759
local terms energy: -63.212981
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -341.108703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.108703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.108703 (E_RNA)
where:
Base-Base interactions energy: -221.898
where: short stacking energy: -92.281
Base-Backbone interact. energy: -1.549
local terms energy: -117.661557
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -31.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -341.889271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.889271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.889271 (E_RNA)
where:
Base-Base interactions energy: -232.790
where: short stacking energy: -100.379
Base-Backbone interact. energy: -0.003
local terms energy: -109.096525
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -25.604
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -30.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -324.141278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.141278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.141278 (E_RNA)
where:
Base-Base interactions energy: -210.596
where: short stacking energy: -96.800
Base-Backbone interact. energy: -0.019
local terms energy: -113.526393
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -31.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -322.842672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.842672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.842672 (E_RNA)
where:
Base-Base interactions energy: -222.863
where: short stacking energy: -104.884
Base-Backbone interact. energy: -0.149
local terms energy: -99.830823
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -21.463
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -32.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -261.314589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.314589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.314589 (E_RNA)
where:
Base-Base interactions energy: -160.007
where: short stacking energy: -79.336
Base-Backbone interact. energy: -0.326
local terms energy: -100.981624
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -26.529
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: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -253.949435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.949435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.949435 (E_RNA)
where:
Base-Base interactions energy: -166.250
where: short stacking energy: -75.497
Base-Backbone interact. energy: -0.788
local terms energy: -86.910680
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -230.120223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.120223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.120223 (E_RNA)
where:
Base-Base interactions energy: -142.021
where: short stacking energy: -69.046
Base-Backbone interact. energy: 1.260
local terms energy: -89.359382
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -18.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -122.046323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.046323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.046323 (E_RNA)
where:
Base-Base interactions energy: -52.787
where: short stacking energy: -44.347
Base-Backbone interact. energy: 0.711
local terms energy: -69.970615
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -108.980174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.980174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.980174 (E_RNA)
where:
Base-Base interactions energy: -41.691
where: short stacking energy: -37.378
Base-Backbone interact. energy: -0.139
local terms energy: -67.149630
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -121.243167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.243167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.243167 (E_RNA)
where:
Base-Base interactions energy: -55.719
where: short stacking energy: -46.144
Base-Backbone interact. energy: -0.286
local terms energy: -65.237798
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -5.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -349.791031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.791031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.791031 (E_RNA)
where:
Base-Base interactions energy: -235.243
where: short stacking energy: -103.808
Base-Backbone interact. energy: -0.512
local terms energy: -114.035859
where:
bonds (distance) C4'-P energy: -24.556
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -30.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -332.079140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.079140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.079140 (E_RNA)
where:
Base-Base interactions energy: -223.999
where: short stacking energy: -90.303
Base-Backbone interact. energy: -0.322
local terms energy: -107.758023
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -32.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -330.211080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.211080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.211080 (E_RNA)
where:
Base-Base interactions energy: -221.514
where: short stacking energy: -96.961
Base-Backbone interact. energy: -1.887
local terms energy: -106.809910
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -31.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -330.802735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.802735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.802735 (E_RNA)
where:
Base-Base interactions energy: -226.131
where: short stacking energy: -96.378
Base-Backbone interact. energy: -2.480
local terms energy: -102.192127
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -30.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -261.595252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.595252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.595252 (E_RNA)
where:
Base-Base interactions energy: -167.084
where: short stacking energy: -85.176
Base-Backbone interact. energy: -0.156
local terms energy: -94.355193
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -253.538353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.538353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.538353 (E_RNA)
where:
Base-Base interactions energy: -167.826
where: short stacking energy: -74.658
Base-Backbone interact. energy: -0.021
local terms energy: -85.692127
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -239.770390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.770390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.770390 (E_RNA)
where:
Base-Base interactions energy: -162.121
where: short stacking energy: -78.976
Base-Backbone interact. energy: -0.552
local terms energy: -77.098022
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -16.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -113.844873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.844873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.844873 (E_RNA)
where:
Base-Base interactions energy: -50.738
where: short stacking energy: -41.944
Base-Backbone interact. energy: -0.466
local terms energy: -62.641319
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -100.700187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.700187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.700187 (E_RNA)
where:
Base-Base interactions energy: -31.675
where: short stacking energy: -30.971
Base-Backbone interact. energy: -0.174
local terms energy: -68.851589
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -23.925
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: 1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -107.877581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.877581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.877581 (E_RNA)
where:
Base-Base interactions energy: -47.164
where: short stacking energy: -45.227
Base-Backbone interact. energy: -0.229
local terms energy: -60.484883
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -344.778228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.778228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.778228 (E_RNA)
where:
Base-Base interactions energy: -227.636
where: short stacking energy: -103.432
Base-Backbone interact. energy: -1.932
local terms energy: -115.209994
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -34.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -339.276159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.276159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.276159 (E_RNA)
where:
Base-Base interactions energy: -225.599
where: short stacking energy: -103.819
Base-Backbone interact. energy: -1.892
local terms energy: -111.785699
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -32.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -314.016830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.016830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.016830 (E_RNA)
where:
Base-Base interactions energy: -204.815
where: short stacking energy: -96.051
Base-Backbone interact. energy: -1.143
local terms energy: -108.058525
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -31.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -328.085715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.085715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.085715 (E_RNA)
where:
Base-Base interactions energy: -221.729
where: short stacking energy: -95.228
Base-Backbone interact. energy: -0.669
local terms energy: -105.687517
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -32.290
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: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -274.397200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.397200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.397200 (E_RNA)
where:
Base-Base interactions energy: -176.324
where: short stacking energy: -87.207
Base-Backbone interact. energy: -0.082
local terms energy: -97.991237
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -28.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -251.910927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.910927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.910927 (E_RNA)
where:
Base-Base interactions energy: -155.788
where: short stacking energy: -79.400
Base-Backbone interact. energy: -0.213
local terms energy: -95.910662
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -15.575
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: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -247.597748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.597748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.597748 (E_RNA)
where:
Base-Base interactions energy: -172.643
where: short stacking energy: -78.548
Base-Backbone interact. energy: -0.639
local terms energy: -74.315665
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -0.440
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -112.546088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.546088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.546088 (E_RNA)
where:
Base-Base interactions energy: -35.816
where: short stacking energy: -34.166
Base-Backbone interact. energy: 1.136
local terms energy: -77.866686
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -119.868194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.868194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.868194 (E_RNA)
where:
Base-Base interactions energy: -59.600
where: short stacking energy: -29.191
Base-Backbone interact. energy: -0.713
local terms energy: -59.555029
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: 0.288
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: 2
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -101.398820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.398820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.398820 (E_RNA)
where:
Base-Base interactions energy: -35.819
where: short stacking energy: -20.073
Base-Backbone interact. energy: -0.314
local terms energy: -65.265510
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: 2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -346.496751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.496751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.496751 (E_RNA)
where:
Base-Base interactions energy: -233.377
where: short stacking energy: -107.492
Base-Backbone interact. energy: -0.368
local terms energy: -112.752034
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -17.313
tors. eta vs tors. theta energy: -30.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -342.816459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.816459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.816459 (E_RNA)
where:
Base-Base interactions energy: -230.824
where: short stacking energy: -105.950
Base-Backbone interact. energy: -1.446
local terms energy: -110.545850
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -33.686
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: 4
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -328.993623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.993623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.993623 (E_RNA)
where:
Base-Base interactions energy: -221.899
where: short stacking energy: -93.803
Base-Backbone interact. energy: -0.004
local terms energy: -107.090724
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -28.356
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: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -316.803523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.803523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.803523 (E_RNA)
where:
Base-Base interactions energy: -209.379
where: short stacking energy: -88.191
Base-Backbone interact. energy: -0.769
local terms energy: -106.655903
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -30.338
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: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -263.002217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.002217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.002217 (E_RNA)
where:
Base-Base interactions energy: -166.826
where: short stacking energy: -81.506
Base-Backbone interact. energy: -0.165
local terms energy: -96.011366
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -23.947
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: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -257.938249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.938249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.938249 (E_RNA)
where:
Base-Base interactions energy: -164.111
where: short stacking energy: -82.606
Base-Backbone interact. energy: -0.871
local terms energy: -92.956363
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -22.883
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: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -241.590548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.590548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.590548 (E_RNA)
where:
Base-Base interactions energy: -153.246
where: short stacking energy: -75.302
Base-Backbone interact. energy: 0.077
local terms energy: -88.422016
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -20.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -106.957495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.957495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.957495 (E_RNA)
where:
Base-Base interactions energy: -39.430
where: short stacking energy: -39.430
Base-Backbone interact. energy: 1.105
local terms energy: -68.632561
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -12.418
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: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -110.258657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.258657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.258657 (E_RNA)
where:
Base-Base interactions energy: -38.321
where: short stacking energy: -38.321
Base-Backbone interact. energy: -0.089
local terms energy: -71.848441
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -109.256440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.256440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.256440 (E_RNA)
where:
Base-Base interactions energy: -46.322
where: short stacking energy: -30.514
Base-Backbone interact. energy: -1.094
local terms energy: -61.840603
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: 1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -344.367889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.367889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.367889 (E_RNA)
where:
Base-Base interactions energy: -230.029
where: short stacking energy: -106.114
Base-Backbone interact. energy: -1.166
local terms energy: -113.172675
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -31.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -345.120023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.120023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.120023 (E_RNA)
where:
Base-Base interactions energy: -229.303
where: short stacking energy: -96.582
Base-Backbone interact. energy: -0.156
local terms energy: -115.660571
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -32.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -338.819092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.819092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.819092 (E_RNA)
where:
Base-Base interactions energy: -231.532
where: short stacking energy: -103.481
Base-Backbone interact. energy: -1.329
local terms energy: -105.958122
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -31.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -314.139002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.139002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.139002 (E_RNA)
where:
Base-Base interactions energy: -218.102
where: short stacking energy: -91.356
Base-Backbone interact. energy: -0.003
local terms energy: -96.034437
where:
bonds (distance) C4'-P energy: -22.017
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -26.177
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: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -267.021330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.021330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.021330 (E_RNA)
where:
Base-Base interactions energy: -171.054
where: short stacking energy: -80.944
Base-Backbone interact. energy: -0.107
local terms energy: -95.860146
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -25.256
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: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -267.153739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.153739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.153739 (E_RNA)
where:
Base-Base interactions energy: -171.498
where: short stacking energy: -77.039
Base-Backbone interact. energy: -0.022
local terms energy: -95.634080
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -22.192
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: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -242.503574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.503574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.503574 (E_RNA)
where:
Base-Base interactions energy: -144.840
where: short stacking energy: -80.367
Base-Backbone interact. energy: -0.480
local terms energy: -97.183231
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -111.706980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.706980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.706980 (E_RNA)
where:
Base-Base interactions energy: -46.968
where: short stacking energy: -45.597
Base-Backbone interact. energy: 0.219
local terms energy: -64.957868
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -7.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -119.173241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.173241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.173241 (E_RNA)
where:
Base-Base interactions energy: -59.539
where: short stacking energy: -42.568
Base-Backbone interact. energy: -0.566
local terms energy: -59.069148
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -8.662
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -110.617303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.617303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.617303 (E_RNA)
where:
Base-Base interactions energy: -43.474
where: short stacking energy: -41.604
Base-Backbone interact. energy: -0.047
local terms energy: -67.096999
where:
bonds (distance) C4'-P energy: -23.480
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -9.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -346.504929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.504929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.504929 (E_RNA)
where:
Base-Base interactions energy: -234.650
where: short stacking energy: -100.576
Base-Backbone interact. energy: -0.604
local terms energy: -111.251638
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -32.601
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: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -339.928084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.928084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.928084 (E_RNA)
where:
Base-Base interactions energy: -231.062
where: short stacking energy: -98.659
Base-Backbone interact. energy: -2.154
local terms energy: -106.712102
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -30.394
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: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -318.803587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.803587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.803587 (E_RNA)
where:
Base-Base interactions energy: -220.390
where: short stacking energy: -92.491
Base-Backbone interact. energy: -0.005
local terms energy: -98.409193
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -21.870
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -29.746
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: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -331.230381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.230381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.230381 (E_RNA)
where:
Base-Base interactions energy: -221.289
where: short stacking energy: -98.971
Base-Backbone interact. energy: -0.260
local terms energy: -109.681399
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -17.798
tors. eta vs tors. theta energy: -27.912
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: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -279.355301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.355301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.355301 (E_RNA)
where:
Base-Base interactions energy: -183.271
where: short stacking energy: -90.725
Base-Backbone interact. energy: 0.426
local terms energy: -96.510890
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -25.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -268.691364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.691364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.691364 (E_RNA)
where:
Base-Base interactions energy: -175.116
where: short stacking energy: -81.942
Base-Backbone interact. energy: -0.221
local terms energy: -93.354068
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -256.305955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.305955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.305955 (E_RNA)
where:
Base-Base interactions energy: -157.586
where: short stacking energy: -85.138
Base-Backbone interact. energy: -0.134
local terms energy: -98.585835
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -25.249
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: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -112.535284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.535284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.535284 (E_RNA)
where:
Base-Base interactions energy: -46.065
where: short stacking energy: -40.535
Base-Backbone interact. energy: 0.200
local terms energy: -66.670189
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -116.282282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.282282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.282282 (E_RNA)
where:
Base-Base interactions energy: -47.846
where: short stacking energy: -47.846
Base-Backbone interact. energy: -0.283
local terms energy: -68.153032
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -100.501484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.501484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.501484 (E_RNA)
where:
Base-Base interactions energy: -42.735
where: short stacking energy: -39.815
Base-Backbone interact. energy: 0.286
local terms energy: -58.052238
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -335.869208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.869208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.869208 (E_RNA)
where:
Base-Base interactions energy: -224.924
where: short stacking energy: -98.514
Base-Backbone interact. energy: -0.001
local terms energy: -110.943519
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -30.793
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: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -331.792799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.792799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.792799 (E_RNA)
where:
Base-Base interactions energy: -222.346
where: short stacking energy: -95.249
Base-Backbone interact. energy: -0.787
local terms energy: -108.660292
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -31.097
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: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -337.894726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.894726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.894726 (E_RNA)
where:
Base-Base interactions energy: -223.418
where: short stacking energy: -96.202
Base-Backbone interact. energy: -0.066
local terms energy: -114.410933
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -31.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -335.029989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.029989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.029989 (E_RNA)
where:
Base-Base interactions energy: -230.566
where: short stacking energy: -101.127
Base-Backbone interact. energy: -0.046
local terms energy: -104.418459
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -29.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -266.173000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.173000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.173000 (E_RNA)
where:
Base-Base interactions energy: -162.024
where: short stacking energy: -76.553
Base-Backbone interact. energy: -0.056
local terms energy: -104.092270
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -24.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -261.119539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.119539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.119539 (E_RNA)
where:
Base-Base interactions energy: -167.720
where: short stacking energy: -82.514
Base-Backbone interact. energy: -0.797
local terms energy: -92.601719
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -22.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -246.746753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.746753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.746753 (E_RNA)
where:
Base-Base interactions energy: -151.573
where: short stacking energy: -70.539
Base-Backbone interact. energy: -0.574
local terms energy: -94.599268
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -23.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -111.633127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.633127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.633127 (E_RNA)
where:
Base-Base interactions energy: -29.021
where: short stacking energy: -28.261
Base-Backbone interact. energy: -0.392
local terms energy: -82.219851
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -129.827200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.827200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.827200 (E_RNA)
where:
Base-Base interactions energy: -52.739
where: short stacking energy: -37.091
Base-Backbone interact. energy: -1.025
local terms energy: -76.062911
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -95.509593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.509593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.509593 (E_RNA)
where:
Base-Base interactions energy: -38.306
where: short stacking energy: -34.896
Base-Backbone interact. energy: 0.723
local terms energy: -57.925738
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -1.722
tors. eta vs tors. theta energy: 2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -350.624591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.624591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.624591 (E_RNA)
where:
Base-Base interactions energy: -238.317
where: short stacking energy: -98.096
Base-Backbone interact. energy: -1.206
local terms energy: -111.101649
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -31.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -341.577690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.577690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.577690 (E_RNA)
where:
Base-Base interactions energy: -227.352
where: short stacking energy: -103.850
Base-Backbone interact. energy: -0.191
local terms energy: -114.034703
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -18.194
tors. eta vs tors. theta energy: -31.003
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: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -329.602930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.602930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.602930 (E_RNA)
where:
Base-Base interactions energy: -223.804
where: short stacking energy: -95.751
Base-Backbone interact. energy: -1.396
local terms energy: -104.403074
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -30.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -336.638871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.638871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.638871 (E_RNA)
where:
Base-Base interactions energy: -219.363
where: short stacking energy: -100.109
Base-Backbone interact. energy: -1.673
local terms energy: -115.603147
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -31.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -263.825965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.825965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.825965 (E_RNA)
where:
Base-Base interactions energy: -167.142
where: short stacking energy: -80.319
Base-Backbone interact. energy: -0.066
local terms energy: -96.618000
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -254.377687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.377687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.377687 (E_RNA)
where:
Base-Base interactions energy: -161.418
where: short stacking energy: -84.023
Base-Backbone interact. energy: -0.862
local terms energy: -92.097800
where:
bonds (distance) C4'-P energy: -23.149
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -25.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -238.762844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.762844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.762844 (E_RNA)
where:
Base-Base interactions energy: -144.131
where: short stacking energy: -68.579
Base-Backbone interact. energy: -0.706
local terms energy: -93.926289
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -23.768
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: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -102.995983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.995983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.995983 (E_RNA)
where:
Base-Base interactions energy: -43.854
where: short stacking energy: -37.588
Base-Backbone interact. energy: -0.206
local terms energy: -58.936158
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -3.245
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -106.344752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.344752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.344752 (E_RNA)
where:
Base-Base interactions energy: -34.044
where: short stacking energy: -30.644
Base-Backbone interact. energy: 2.354
local terms energy: -74.654577
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -6.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -115.872114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.872114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.872114 (E_RNA)
where:
Base-Base interactions energy: -50.721
where: short stacking energy: -26.449
Base-Backbone interact. energy: -0.231
local terms energy: -64.919625
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -7.271
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: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -339.874674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.874674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.874674 (E_RNA)
where:
Base-Base interactions energy: -229.146
where: short stacking energy: -100.670
Base-Backbone interact. energy: -0.254
local terms energy: -110.474807
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -31.582
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: 193
Temperature: 0.950000
Total energy: -339.802518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.802518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.802518 (E_RNA)
where:
Base-Base interactions energy: -222.995
where: short stacking energy: -101.175
Base-Backbone interact. energy: -3.302
local terms energy: -113.505927
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -33.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -329.272534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.272534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.272534 (E_RNA)
where:
Base-Base interactions energy: -214.839
where: short stacking energy: -90.512
Base-Backbone interact. energy: -0.457
local terms energy: -113.976654
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -24.129
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -29.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -329.438804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.438804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.438804 (E_RNA)
where:
Base-Base interactions energy: -221.882
where: short stacking energy: -102.958
Base-Backbone interact. energy: -1.045
local terms energy: -106.512217
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -19.813
tors. eta vs tors. theta energy: -32.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -257.388329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.388329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.388329 (E_RNA)
where:
Base-Base interactions energy: -160.995
where: short stacking energy: -75.857
Base-Backbone interact. energy: -0.659
local terms energy: -95.734501
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -21.427
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: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -249.029607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.029607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.029607 (E_RNA)
where:
Base-Base interactions energy: -159.085
where: short stacking energy: -80.833
Base-Backbone interact. energy: -0.305
local terms energy: -89.639643
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -258.440568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.440568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.440568 (E_RNA)
where:
Base-Base interactions energy: -165.422
where: short stacking energy: -81.120
Base-Backbone interact. energy: 2.243
local terms energy: -95.262077
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -22.952
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -26.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -125.671708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.671708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.671708 (E_RNA)
where:
Base-Base interactions energy: -62.882
where: short stacking energy: -49.483
Base-Backbone interact. energy: -0.171
local terms energy: -62.619066
where:
bonds (distance) C4'-P energy: -9.669
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -109.055606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.055606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.055606 (E_RNA)
where:
Base-Base interactions energy: -46.879
where: short stacking energy: -44.686
Base-Backbone interact. energy: -1.308
local terms energy: -60.869215
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -20.841
flat angles P-C4'-P energy: -1.186
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -104.511259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.511259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.511259 (E_RNA)
where:
Base-Base interactions energy: -48.610
where: short stacking energy: -43.776
Base-Backbone interact. energy: -0.282
local terms energy: -55.618945
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -348.912607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.912607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.912607 (E_RNA)
where:
Base-Base interactions energy: -234.562
where: short stacking energy: -102.246
Base-Backbone interact. energy: -2.263
local terms energy: -112.086903
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -21.661
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -31.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -332.311521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.311521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.311521 (E_RNA)
where:
Base-Base interactions energy: -230.866
where: short stacking energy: -95.068
Base-Backbone interact. energy: -0.036
local terms energy: -101.410356
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -27.193
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: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -323.826228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.826228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.826228 (E_RNA)
where:
Base-Base interactions energy: -213.192
where: short stacking energy: -98.024
Base-Backbone interact. energy: -1.095
local terms energy: -109.539275
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -24.541
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -27.748
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: 194
Temperature: 1.050000
Total energy: -324.935902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.935902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.935902 (E_RNA)
where:
Base-Base interactions energy: -211.220
where: short stacking energy: -95.341
Base-Backbone interact. energy: -0.055
local terms energy: -113.660458
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -34.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -254.574013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.574013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.574013 (E_RNA)
where:
Base-Base interactions energy: -160.788
where: short stacking energy: -84.809
Base-Backbone interact. energy: -1.099
local terms energy: -92.687063
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -13.555
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: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -255.804240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.804240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.804240 (E_RNA)
where:
Base-Base interactions energy: -159.319
where: short stacking energy: -83.763
Base-Backbone interact. energy: 0.649
local terms energy: -97.133527
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -21.950
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -24.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -248.110534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.110534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.110534 (E_RNA)
where:
Base-Base interactions energy: -160.629
where: short stacking energy: -71.936
Base-Backbone interact. energy: -0.061
local terms energy: -87.421211
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -123.231608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.231608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.231608 (E_RNA)
where:
Base-Base interactions energy: -50.117
where: short stacking energy: -34.921
Base-Backbone interact. energy: -0.506
local terms energy: -72.608719
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -11.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -121.790928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.790928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.790928 (E_RNA)
where:
Base-Base interactions energy: -50.525
where: short stacking energy: -35.133
Base-Backbone interact. energy: 3.277
local terms energy: -74.543233
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -2.909
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: 194
Temperature: 1.350000
Total energy: -91.285354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.285354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.285354 (E_RNA)
where:
Base-Base interactions energy: -26.073
where: short stacking energy: -23.295
Base-Backbone interact. energy: -0.436
local terms energy: -64.776372
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -13.256
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: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -355.081374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.081374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.081374 (E_RNA)
where:
Base-Base interactions energy: -235.388
where: short stacking energy: -105.455
Base-Backbone interact. energy: -0.219
local terms energy: -119.474748
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -26.335
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -35.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -333.912223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.912223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.912223 (E_RNA)
where:
Base-Base interactions energy: -228.374
where: short stacking energy: -98.803
Base-Backbone interact. energy: -0.094
local terms energy: -105.443852
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -30.308
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: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -322.396753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.396753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.396753 (E_RNA)
where:
Base-Base interactions energy: -208.803
where: short stacking energy: -93.942
Base-Backbone interact. energy: -0.148
local terms energy: -113.445284
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -18.713
tors. eta vs tors. theta energy: -30.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -331.222883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.222883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.222883 (E_RNA)
where:
Base-Base interactions energy: -225.807
where: short stacking energy: -97.038
Base-Backbone interact. energy: -0.239
local terms energy: -105.177124
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -32.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -256.518278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.518278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.518278 (E_RNA)
where:
Base-Base interactions energy: -166.187
where: short stacking energy: -88.693
Base-Backbone interact. energy: -0.009
local terms energy: -90.321831
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -15.129
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: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -262.497898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.497898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.497898 (E_RNA)
where:
Base-Base interactions energy: -166.948
where: short stacking energy: -84.575
Base-Backbone interact. energy: -0.599
local terms energy: -94.950533
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -25.145
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -23.721
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: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -248.322437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.322437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.322437 (E_RNA)
where:
Base-Base interactions energy: -156.140
where: short stacking energy: -77.834
Base-Backbone interact. energy: -0.266
local terms energy: -91.916601
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -123.829985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.829985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.829985 (E_RNA)
where:
Base-Base interactions energy: -46.619
where: short stacking energy: -45.089
Base-Backbone interact. energy: -0.178
local terms energy: -77.033631
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -114.965290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.965290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.965290 (E_RNA)
where:
Base-Base interactions energy: -52.679
where: short stacking energy: -48.588
Base-Backbone interact. energy: -0.115
local terms energy: -62.171326
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -96.729475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.729475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.729475 (E_RNA)
where:
Base-Base interactions energy: -33.123
where: short stacking energy: -31.009
Base-Backbone interact. energy: -0.199
local terms energy: -63.407759
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -3.579
tors. eta vs tors. theta energy: -9.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -344.618202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.618202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.618202 (E_RNA)
where:
Base-Base interactions energy: -225.443
where: short stacking energy: -100.414
Base-Backbone interact. energy: -1.490
local terms energy: -117.684941
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -16.944
tors. eta vs tors. theta energy: -32.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -342.419564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.419564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.419564 (E_RNA)
where:
Base-Base interactions energy: -223.795
where: short stacking energy: -97.649
Base-Backbone interact. energy: -2.043
local terms energy: -116.581583
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -32.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -335.817194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.817194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.817194 (E_RNA)
where:
Base-Base interactions energy: -228.736
where: short stacking energy: -108.652
Base-Backbone interact. energy: 1.594
local terms energy: -108.674874
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -19.385
tors. eta vs tors. theta energy: -31.798
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: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -309.900205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.900205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.900205 (E_RNA)
where:
Base-Base interactions energy: -212.062
where: short stacking energy: -96.055
Base-Backbone interact. energy: -0.947
local terms energy: -96.891255
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -27.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -254.849024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.849024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.849024 (E_RNA)
where:
Base-Base interactions energy: -159.383
where: short stacking energy: -81.213
Base-Backbone interact. energy: -0.789
local terms energy: -94.677170
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -23.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -260.415667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.415667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.415667 (E_RNA)
where:
Base-Base interactions energy: -168.587
where: short stacking energy: -77.438
Base-Backbone interact. energy: -0.976
local terms energy: -90.852681
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -254.264629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.264629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.264629 (E_RNA)
where:
Base-Base interactions energy: -168.121
where: short stacking energy: -84.514
Base-Backbone interact. energy: -0.002
local terms energy: -86.141525
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -114.986167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.986167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.986167 (E_RNA)
where:
Base-Base interactions energy: -39.113
where: short stacking energy: -39.713
Base-Backbone interact. energy: 0.098
local terms energy: -75.971278
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -108.760080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.760080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.760080 (E_RNA)
where:
Base-Base interactions energy: -42.774
where: short stacking energy: -40.826
Base-Backbone interact. energy: -0.377
local terms energy: -65.609079
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -1.639
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: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -102.517192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.517192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.517192 (E_RNA)
where:
Base-Base interactions energy: -35.848
where: short stacking energy: -30.404
Base-Backbone interact. energy: 0.525
local terms energy: -67.194116
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -17.468
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: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -352.476590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.476590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.476590 (E_RNA)
where:
Base-Base interactions energy: -236.709
where: short stacking energy: -100.601
Base-Backbone interact. energy: -2.338
local terms energy: -113.429989
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -35.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -334.715139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.715139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.715139 (E_RNA)
where:
Base-Base interactions energy: -216.780
where: short stacking energy: -96.856
Base-Backbone interact. energy: -2.012
local terms energy: -115.924094
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -24.503
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -32.916
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: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -315.634180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.634180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.634180 (E_RNA)
where:
Base-Base interactions energy: -208.588
where: short stacking energy: -89.142
Base-Backbone interact. energy: -0.001
local terms energy: -107.045166
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -29.101
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: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -314.333425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.333425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.333425 (E_RNA)
where:
Base-Base interactions energy: -213.802
where: short stacking energy: -92.930
Base-Backbone interact. energy: -0.710
local terms energy: -99.821155
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -28.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -247.934949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.934949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.934949 (E_RNA)
where:
Base-Base interactions energy: -157.121
where: short stacking energy: -82.944
Base-Backbone interact. energy: -0.574
local terms energy: -90.239673
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -262.559684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.559684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.559684 (E_RNA)
where:
Base-Base interactions energy: -171.601
where: short stacking energy: -80.822
Base-Backbone interact. energy: -0.514
local terms energy: -90.444736
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -25.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -248.979818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.979818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.979818 (E_RNA)
where:
Base-Base interactions energy: -151.064
where: short stacking energy: -74.781
Base-Backbone interact. energy: 1.023
local terms energy: -98.938607
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -24.741
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: 197
Temperature: 1.250000
Total energy: -110.404823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.404823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.404823 (E_RNA)
where:
Base-Base interactions energy: -41.052
where: short stacking energy: -35.742
Base-Backbone interact. energy: 1.225
local terms energy: -70.578157
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -118.836212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.836212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.836212 (E_RNA)
where:
Base-Base interactions energy: -44.514
where: short stacking energy: -44.514
Base-Backbone interact. energy: -0.089
local terms energy: -74.233919
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -100.230420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.230420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.230420 (E_RNA)
where:
Base-Base interactions energy: -44.426
where: short stacking energy: -38.448
Base-Backbone interact. energy: -0.867
local terms energy: -54.936918
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -3.871
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: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -344.700859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.700859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.700859 (E_RNA)
where:
Base-Base interactions energy: -227.123
where: short stacking energy: -94.540
Base-Backbone interact. energy: -0.921
local terms energy: -116.656904
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -28.316
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: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -340.247273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.247273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.247273 (E_RNA)
where:
Base-Base interactions energy: -228.727
where: short stacking energy: -93.861
Base-Backbone interact. energy: -0.764
local terms energy: -110.756267
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -32.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -328.603617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.603617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.603617 (E_RNA)
where:
Base-Base interactions energy: -221.864
where: short stacking energy: -93.731
Base-Backbone interact. energy: -0.520
local terms energy: -106.219647
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -320.148805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.148805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.148805 (E_RNA)
where:
Base-Base interactions energy: -219.523
where: short stacking energy: -89.088
Base-Backbone interact. energy: -1.135
local terms energy: -99.491029
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -31.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -263.157358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.157358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.157358 (E_RNA)
where:
Base-Base interactions energy: -169.356
where: short stacking energy: -82.897
Base-Backbone interact. energy: -0.027
local terms energy: -93.775051
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -22.872
flat angles P-C4'-P energy: -15.379
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: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -244.200010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.200010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.200010 (E_RNA)
where:
Base-Base interactions energy: -159.912
where: short stacking energy: -83.875
Base-Backbone interact. energy: -0.282
local terms energy: -84.005851
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -27.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -249.714687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.714687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.714687 (E_RNA)
where:
Base-Base interactions energy: -160.537
where: short stacking energy: -78.454
Base-Backbone interact. energy: -0.165
local terms energy: -89.012155
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -112.955136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.955136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.955136 (E_RNA)
where:
Base-Base interactions energy: -56.791
where: short stacking energy: -31.021
Base-Backbone interact. energy: -0.499
local terms energy: -55.665265
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: 2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -121.083624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.083624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.083624 (E_RNA)
where:
Base-Base interactions energy: -40.578
where: short stacking energy: -40.578
Base-Backbone interact. energy: -0.096
local terms energy: -80.409148
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -11.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -112.012994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.012994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.012994 (E_RNA)
where:
Base-Base interactions energy: -45.507
where: short stacking energy: -31.492
Base-Backbone interact. energy: -1.266
local terms energy: -65.240016
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -345.325775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.325775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.325775 (E_RNA)
where:
Base-Base interactions energy: -236.186
where: short stacking energy: -105.311
Base-Backbone interact. energy: -0.059
local terms energy: -109.080793
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -30.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -353.051720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.051720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.051720 (E_RNA)
where:
Base-Base interactions energy: -237.657
where: short stacking energy: -104.968
Base-Backbone interact. energy: -1.682
local terms energy: -113.713289
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -32.759
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: 199
Temperature: 1.000000
Total energy: -338.614020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.614020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.614020 (E_RNA)
where:
Base-Base interactions energy: -226.081
where: short stacking energy: -105.547
Base-Backbone interact. energy: -1.753
local terms energy: -110.779792
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -30.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -315.048413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.048413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.048413 (E_RNA)
where:
Base-Base interactions energy: -215.780
where: short stacking energy: -85.889
Base-Backbone interact. energy: -0.145
local terms energy: -99.123291
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -29.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -255.902900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.902900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.902900 (E_RNA)
where:
Base-Base interactions energy: -157.583
where: short stacking energy: -82.381
Base-Backbone interact. energy: -0.037
local terms energy: -98.282844
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -26.678
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: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -253.250577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.250577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.250577 (E_RNA)
where:
Base-Base interactions energy: -153.009
where: short stacking energy: -75.027
Base-Backbone interact. energy: -0.327
local terms energy: -99.914327
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -239.497181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.497181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.497181 (E_RNA)
where:
Base-Base interactions energy: -151.558
where: short stacking energy: -71.201
Base-Backbone interact. energy: 0.108
local terms energy: -88.047162
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -107.909248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.909248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.909248 (E_RNA)
where:
Base-Base interactions energy: -36.287
where: short stacking energy: -33.063
Base-Backbone interact. energy: 0.313
local terms energy: -71.934862
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -112.349018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.349018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.349018 (E_RNA)
where:
Base-Base interactions energy: -54.450
where: short stacking energy: -34.091
Base-Backbone interact. energy: -0.915
local terms energy: -56.983910
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -8.212
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: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -98.350129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.350129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.350129 (E_RNA)
where:
Base-Base interactions energy: -48.738
where: short stacking energy: -43.137
Base-Backbone interact. energy: -0.198
local terms energy: -49.413678
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -10.066
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: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -351.175670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.175670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.175670 (E_RNA)
where:
Base-Base interactions energy: -231.718
where: short stacking energy: -105.970
Base-Backbone interact. energy: -1.209
local terms energy: -118.248146
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -33.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -342.052814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.052814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.052814 (E_RNA)
where:
Base-Base interactions energy: -230.480
where: short stacking energy: -97.114
Base-Backbone interact. energy: -0.017
local terms energy: -111.555071
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -30.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -330.594687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.594687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.594687 (E_RNA)
where:
Base-Base interactions energy: -222.196
where: short stacking energy: -92.817
Base-Backbone interact. energy: -0.078
local terms energy: -108.320967
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -23.816
flat angles P-C4'-P energy: -16.846
tors. eta vs tors. theta energy: -27.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -325.620032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.620032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.620032 (E_RNA)
where:
Base-Base interactions energy: -224.331
where: short stacking energy: -102.127
Base-Backbone interact. energy: -0.626
local terms energy: -100.662710
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -32.063
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: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -268.925099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.925099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.925099 (E_RNA)
where:
Base-Base interactions energy: -167.400
where: short stacking energy: -87.281
Base-Backbone interact. energy: -2.165
local terms energy: -99.360366
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -250.719128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.719128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.719128 (E_RNA)
where:
Base-Base interactions energy: -163.494
where: short stacking energy: -77.482
Base-Backbone interact. energy: -0.987
local terms energy: -86.238164
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -18.875
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: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -238.330000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.330000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.330000 (E_RNA)
where:
Base-Base interactions energy: -153.747
where: short stacking energy: -75.231
Base-Backbone interact. energy: -0.216
local terms energy: -84.366807
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -129.646040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.646040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.646040 (E_RNA)
where:
Base-Base interactions energy: -54.441
where: short stacking energy: -48.363
Base-Backbone interact. energy: -0.287
local terms energy: -74.917399
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -111.431069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.431069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.431069 (E_RNA)
where:
Base-Base interactions energy: -50.078
where: short stacking energy: -45.261
Base-Backbone interact. energy: -0.407
local terms energy: -60.946308
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -106.921170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.921170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.921170 (E_RNA)
where:
Base-Base interactions energy: -41.297
where: short stacking energy: -39.583
Base-Backbone interact. energy: -0.434
local terms energy: -65.190268
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -3.427
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: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -344.013042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.013042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.013042 (E_RNA)
where:
Base-Base interactions energy: -229.783
where: short stacking energy: -104.248
Base-Backbone interact. energy: -1.584
local terms energy: -112.646343
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -32.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -337.019153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.019153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.019153 (E_RNA)
where:
Base-Base interactions energy: -218.967
where: short stacking energy: -97.492
Base-Backbone interact. energy: -0.412
local terms energy: -117.639850
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -31.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -327.766553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.766553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.766553 (E_RNA)
where:
Base-Base interactions energy: -229.534
where: short stacking energy: -103.087
Base-Backbone interact. energy: -0.975
local terms energy: -97.257957
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -30.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -337.400955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.400955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.400955 (E_RNA)
where:
Base-Base interactions energy: -229.378
where: short stacking energy: -102.735
Base-Backbone interact. energy: 1.164
local terms energy: -109.186410
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -31.261
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: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -263.820361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.820361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.820361 (E_RNA)
where:
Base-Base interactions energy: -171.135
where: short stacking energy: -79.919
Base-Backbone interact. energy: -0.125
local terms energy: -92.560637
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -23.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -258.311589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.311589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.311589 (E_RNA)
where:
Base-Base interactions energy: -163.490
where: short stacking energy: -79.038
Base-Backbone interact. energy: -0.176
local terms energy: -94.645746
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -23.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -244.093627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.093627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.093627 (E_RNA)
where:
Base-Base interactions energy: -150.428
where: short stacking energy: -66.638
Base-Backbone interact. energy: -0.028
local terms energy: -93.636769
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -129.670494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.670494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.670494 (E_RNA)
where:
Base-Base interactions energy: -54.879
where: short stacking energy: -40.764
Base-Backbone interact. energy: -0.362
local terms energy: -74.429058
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -104.381601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.381601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.381601 (E_RNA)
where:
Base-Base interactions energy: -37.864
where: short stacking energy: -29.572
Base-Backbone interact. energy: -0.244
local terms energy: -66.273429
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -9.882
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: 201
Temperature: 1.350000
Total energy: -97.199197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.199197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.199197 (E_RNA)
where:
Base-Base interactions energy: -37.145
where: short stacking energy: -34.400
Base-Backbone interact. energy: -0.199
local terms energy: -59.854749
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -19.870
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -344.195859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.195859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.195859 (E_RNA)
where:
Base-Base interactions energy: -231.675
where: short stacking energy: -92.216
Base-Backbone interact. energy: -0.219
local terms energy: -112.302075
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -30.352
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: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -342.931352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.931352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.931352 (E_RNA)
where:
Base-Base interactions energy: -231.973
where: short stacking energy: -105.470
Base-Backbone interact. energy: -0.122
local terms energy: -110.836314
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: -34.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -330.389877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.389877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.389877 (E_RNA)
where:
Base-Base interactions energy: -228.054
where: short stacking energy: -101.893
Base-Backbone interact. energy: -0.201
local terms energy: -102.134899
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -28.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -321.575283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.575283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.575283 (E_RNA)
where:
Base-Base interactions energy: -220.604
where: short stacking energy: -95.874
Base-Backbone interact. energy: -0.467
local terms energy: -100.504278
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -29.822
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: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -253.208936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.208936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.208936 (E_RNA)
where:
Base-Base interactions energy: -161.799
where: short stacking energy: -79.070
Base-Backbone interact. energy: -0.142
local terms energy: -91.267375
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -14.074
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: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -240.401034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.401034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.401034 (E_RNA)
where:
Base-Base interactions energy: -145.069
where: short stacking energy: -68.925
Base-Backbone interact. energy: -0.166
local terms energy: -95.166239
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -145.294308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.294308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.294308 (E_RNA)
where:
Base-Base interactions energy: -65.361
where: short stacking energy: -44.583
Base-Backbone interact. energy: -0.201
local terms energy: -79.732423
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -7.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -250.181068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.181068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.181068 (E_RNA)
where:
Base-Base interactions energy: -150.935
where: short stacking energy: -75.599
Base-Backbone interact. energy: -0.197
local terms energy: -99.048987
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -91.823116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.823116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.823116 (E_RNA)
where:
Base-Base interactions energy: -36.236
where: short stacking energy: -31.477
Base-Backbone interact. energy: -0.327
local terms energy: -55.260007
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: 7.493
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: 10, replica: 2
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -98.390531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.390531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.390531 (E_RNA)
where:
Base-Base interactions energy: -43.721
where: short stacking energy: -37.922
Base-Backbone interact. energy: -0.239
local terms energy: -54.430730
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -5.334
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: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -348.578089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.578089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.578089 (E_RNA)
where:
Base-Base interactions energy: -241.900
where: short stacking energy: -90.486
Base-Backbone interact. energy: 0.388
local terms energy: -107.066599
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -29.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -333.448328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.448328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.448328 (E_RNA)
where:
Base-Base interactions energy: -215.766
where: short stacking energy: -92.109
Base-Backbone interact. energy: -2.087
local terms energy: -115.595330
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -32.394
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: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -331.589018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.589018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.589018 (E_RNA)
where:
Base-Base interactions energy: -222.660
where: short stacking energy: -101.497
Base-Backbone interact. energy: -0.101
local terms energy: -108.828212
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -29.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -322.363809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.363809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.363809 (E_RNA)
where:
Base-Base interactions energy: -214.833
where: short stacking energy: -86.392
Base-Backbone interact. energy: -0.067
local terms energy: -107.463536
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -28.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -259.655893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.655893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.655893 (E_RNA)
where:
Base-Base interactions energy: -167.618
where: short stacking energy: -84.215
Base-Backbone interact. energy: -0.010
local terms energy: -92.028089
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -253.563640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.563640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.563640 (E_RNA)
where:
Base-Base interactions energy: -160.447
where: short stacking energy: -73.039
Base-Backbone interact. energy: -0.195
local terms energy: -92.920817
where:
bonds (distance) C4'-P energy: -20.272
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -21.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -126.188007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.188007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.188007 (E_RNA)
where:
Base-Base interactions energy: -57.715
where: short stacking energy: -46.276
Base-Backbone interact. energy: -0.221
local terms energy: -68.251514
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -230.208725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.208725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.208725 (E_RNA)
where:
Base-Base interactions energy: -143.182
where: short stacking energy: -80.766
Base-Backbone interact. energy: -0.057
local terms energy: -86.969726
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -22.141
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: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -104.644075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.644075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.644075 (E_RNA)
where:
Base-Base interactions energy: -44.513
where: short stacking energy: -44.253
Base-Backbone interact. energy: -0.514
local terms energy: -59.617656
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -112.125840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.125840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.125840 (E_RNA)
where:
Base-Base interactions energy: -49.676
where: short stacking energy: -31.531
Base-Backbone interact. energy: 0.334
local terms energy: -62.783159
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -339.301078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.301078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.301078 (E_RNA)
where:
Base-Base interactions energy: -222.522
where: short stacking energy: -109.547
Base-Backbone interact. energy: -1.408
local terms energy: -115.371226
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: -33.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -336.353790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.353790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.353790 (E_RNA)
where:
Base-Base interactions energy: -224.186
where: short stacking energy: -94.722
Base-Backbone interact. energy: -0.022
local terms energy: -112.145842
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -31.218
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: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -331.076933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.076933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.076933 (E_RNA)
where:
Base-Base interactions energy: -215.530
where: short stacking energy: -102.024
Base-Backbone interact. energy: -0.592
local terms energy: -114.955105
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -31.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -314.752738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.752738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.752738 (E_RNA)
where:
Base-Base interactions energy: -208.674
where: short stacking energy: -90.749
Base-Backbone interact. energy: -2.094
local terms energy: -103.984544
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -27.658
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: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -261.076587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.076587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.076587 (E_RNA)
where:
Base-Base interactions energy: -171.879
where: short stacking energy: -81.564
Base-Backbone interact. energy: -0.184
local terms energy: -89.013435
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -255.445388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.445388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.445388 (E_RNA)
where:
Base-Base interactions energy: -162.168
where: short stacking energy: -80.665
Base-Backbone interact. energy: -0.642
local terms energy: -92.635420
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -25.274
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: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -245.581081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.581081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.581081 (E_RNA)
where:
Base-Base interactions energy: -153.881
where: short stacking energy: -73.199
Base-Backbone interact. energy: 0.620
local terms energy: -92.320537
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -22.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -114.353311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.353311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.353311 (E_RNA)
where:
Base-Base interactions energy: -46.892
where: short stacking energy: -22.616
Base-Backbone interact. energy: 0.830
local terms energy: -68.291367
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: 0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -127.916827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.916827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.916827 (E_RNA)
where:
Base-Base interactions energy: -52.857
where: short stacking energy: -43.098
Base-Backbone interact. energy: -0.225
local terms energy: -74.834287
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -15.669
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: 10, replica: 2
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -99.990808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.990808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.990808 (E_RNA)
where:
Base-Base interactions energy: -45.063
where: short stacking energy: -45.063
Base-Backbone interact. energy: -0.380
local terms energy: -54.547711
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -346.949704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.949704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.949704 (E_RNA)
where:
Base-Base interactions energy: -237.384
where: short stacking energy: -103.234
Base-Backbone interact. energy: 0.048
local terms energy: -109.614263
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -32.766
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: 205
Temperature: 0.950000
Total energy: -334.994794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.994794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.994794 (E_RNA)
where:
Base-Base interactions energy: -225.582
where: short stacking energy: -100.856
Base-Backbone interact. energy: -0.596
local terms energy: -108.816851
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -30.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -325.683953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.683953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.683953 (E_RNA)
where:
Base-Base interactions energy: -217.192
where: short stacking energy: -88.865
Base-Backbone interact. energy: -0.400
local terms energy: -108.091708
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -23.726
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -27.534
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: 205
Temperature: 1.050000
Total energy: -330.518106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.518106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.518106 (E_RNA)
where:
Base-Base interactions energy: -213.005
where: short stacking energy: -91.604
Base-Backbone interact. energy: -0.019
local terms energy: -117.494428
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -30.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -257.717678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.717678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.717678 (E_RNA)
where:
Base-Base interactions energy: -160.019
where: short stacking energy: -69.490
Base-Backbone interact. energy: -0.092
local terms energy: -97.606712
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -17.940
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: 6, replica: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -239.894393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.894393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.894393 (E_RNA)
where:
Base-Base interactions energy: -149.635
where: short stacking energy: -73.513
Base-Backbone interact. energy: 0.418
local terms energy: -90.677103
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -254.817401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.817401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.817401 (E_RNA)
where:
Base-Base interactions energy: -175.670
where: short stacking energy: -85.199
Base-Backbone interact. energy: -0.018
local terms energy: -79.129705
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -124.670976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.670976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.670976 (E_RNA)
where:
Base-Base interactions energy: -52.666
where: short stacking energy: -43.703
Base-Backbone interact. energy: 2.186
local terms energy: -74.191230
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -107.960156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.960156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.960156 (E_RNA)
where:
Base-Base interactions energy: -49.272
where: short stacking energy: -41.207
Base-Backbone interact. energy: -0.409
local terms energy: -58.279165
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -95.691898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.691898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.691898 (E_RNA)
where:
Base-Base interactions energy: -33.314
where: short stacking energy: -33.314
Base-Backbone interact. energy: -0.111
local terms energy: -62.266184
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -350.930230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.930230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.930230 (E_RNA)
where:
Base-Base interactions energy: -234.023
where: short stacking energy: -100.391
Base-Backbone interact. energy: -2.714
local terms energy: -114.192695
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -32.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -336.022267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.022267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.022267 (E_RNA)
where:
Base-Base interactions energy: -228.869
where: short stacking energy: -104.557
Base-Backbone interact. energy: -1.880
local terms energy: -105.272728
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -32.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -335.304767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.304767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.304767 (E_RNA)
where:
Base-Base interactions energy: -222.234
where: short stacking energy: -96.339
Base-Backbone interact. energy: 0.396
local terms energy: -113.467343
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -33.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -315.355991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.355991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.355991 (E_RNA)
where:
Base-Base interactions energy: -211.382
where: short stacking energy: -88.990
Base-Backbone interact. energy: -0.575
local terms energy: -103.399601
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -26.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -257.767529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.767529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.767529 (E_RNA)
where:
Base-Base interactions energy: -166.205
where: short stacking energy: -81.336
Base-Backbone interact. energy: -0.004
local terms energy: -91.558640
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -10.376
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: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -243.129275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.129275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.129275 (E_RNA)
where:
Base-Base interactions energy: -157.571
where: short stacking energy: -79.993
Base-Backbone interact. energy: 0.605
local terms energy: -86.163188
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -241.734331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.734331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.734331 (E_RNA)
where:
Base-Base interactions energy: -166.227
where: short stacking energy: -75.085
Base-Backbone interact. energy: -0.404
local terms energy: -75.103359
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -126.096177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.096177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.096177 (E_RNA)
where:
Base-Base interactions energy: -52.751
where: short stacking energy: -45.470
Base-Backbone interact. energy: -0.087
local terms energy: -73.258143
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -110.679774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.679774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.679774 (E_RNA)
where:
Base-Base interactions energy: -46.423
where: short stacking energy: -42.892
Base-Backbone interact. energy: 2.080
local terms energy: -66.336752
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -109.383078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.383078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.383078 (E_RNA)
where:
Base-Base interactions energy: -37.207
where: short stacking energy: -21.591
Base-Backbone interact. energy: 1.272
local terms energy: -73.447882
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -23.696
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: 3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -350.072806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.072806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.072806 (E_RNA)
where:
Base-Base interactions energy: -229.663
where: short stacking energy: -103.774
Base-Backbone interact. energy: -1.336
local terms energy: -119.073934
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -33.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -348.837000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.837000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.837000 (E_RNA)
where:
Base-Base interactions energy: -232.899
where: short stacking energy: -101.663
Base-Backbone interact. energy: -2.386
local terms energy: -113.552211
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -32.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -329.868378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.868378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.868378 (E_RNA)
where:
Base-Base interactions energy: -216.679
where: short stacking energy: -97.420
Base-Backbone interact. energy: -0.855
local terms energy: -112.335007
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -31.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -314.321559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.321559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.321559 (E_RNA)
where:
Base-Base interactions energy: -222.641
where: short stacking energy: -91.140
Base-Backbone interact. energy: -0.732
local terms energy: -90.948619
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -27.924
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: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -253.828389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.828389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.828389 (E_RNA)
where:
Base-Base interactions energy: -167.942
where: short stacking energy: -84.434
Base-Backbone interact. energy: 0.253
local terms energy: -86.139117
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -25.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -247.797007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.797007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.797007 (E_RNA)
where:
Base-Base interactions energy: -160.998
where: short stacking energy: -79.964
Base-Backbone interact. energy: -0.148
local terms energy: -86.650929
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -21.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -191.771493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.771493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.771493 (E_RNA)
where:
Base-Base interactions energy: -108.028
where: short stacking energy: -64.129
Base-Backbone interact. energy: -0.112
local terms energy: -83.631810
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -8.354
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: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -118.001609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.001609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.001609 (E_RNA)
where:
Base-Base interactions energy: -53.546
where: short stacking energy: -41.558
Base-Backbone interact. energy: 5.360
local terms energy: -69.815704
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -109.509337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.509337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.509337 (E_RNA)
where:
Base-Base interactions energy: -47.812
where: short stacking energy: -23.307
Base-Backbone interact. energy: -0.479
local terms energy: -61.218403
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -99.638947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.638947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.638947 (E_RNA)
where:
Base-Base interactions energy: -36.336
where: short stacking energy: -30.759
Base-Backbone interact. energy: -0.323
local terms energy: -62.980548
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -8.128
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: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -351.464419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.464419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.464419 (E_RNA)
where:
Base-Base interactions energy: -238.373
where: short stacking energy: -104.122
Base-Backbone interact. energy: -1.539
local terms energy: -111.552185
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -33.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -328.439151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.439151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.439151 (E_RNA)
where:
Base-Base interactions energy: -217.774
where: short stacking energy: -95.762
Base-Backbone interact. energy: -2.315
local terms energy: -108.350164
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -29.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -337.189971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.189971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.189971 (E_RNA)
where:
Base-Base interactions energy: -226.823
where: short stacking energy: -97.388
Base-Backbone interact. energy: -2.443
local terms energy: -107.924659
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -30.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -319.455834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.455834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.455834 (E_RNA)
where:
Base-Base interactions energy: -212.463
where: short stacking energy: -88.687
Base-Backbone interact. energy: -0.103
local terms energy: -106.890166
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -32.482
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: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -262.674993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.674993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.674993 (E_RNA)
where:
Base-Base interactions energy: -166.963
where: short stacking energy: -85.520
Base-Backbone interact. energy: 0.058
local terms energy: -95.770301
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -23.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -257.269223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.269223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.269223 (E_RNA)
where:
Base-Base interactions energy: -156.056
where: short stacking energy: -76.379
Base-Backbone interact. energy: -0.823
local terms energy: -100.390982
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -22.475
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: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -183.808142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.808142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.808142 (E_RNA)
where:
Base-Base interactions energy: -101.275
where: short stacking energy: -53.377
Base-Backbone interact. energy: -0.088
local terms energy: -82.445109
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -15.688
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: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -117.475112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.475112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.475112 (E_RNA)
where:
Base-Base interactions energy: -61.769
where: short stacking energy: -39.304
Base-Backbone interact. energy: -0.059
local terms energy: -55.647173
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -101.431841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.431841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.431841 (E_RNA)
where:
Base-Base interactions energy: -43.886
where: short stacking energy: -36.510
Base-Backbone interact. energy: 3.704
local terms energy: -61.249198
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -116.185452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.185452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.185452 (E_RNA)
where:
Base-Base interactions energy: -46.390
where: short stacking energy: -40.422
Base-Backbone interact. energy: -0.249
local terms energy: -69.546909
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -344.589121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.589121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.589121 (E_RNA)
where:
Base-Base interactions energy: -227.530
where: short stacking energy: -105.478
Base-Backbone interact. energy: -0.218
local terms energy: -116.840703
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -31.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -339.147146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.147146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.147146 (E_RNA)
where:
Base-Base interactions energy: -221.739
where: short stacking energy: -95.821
Base-Backbone interact. energy: -3.095
local terms energy: -114.313098
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -21.329
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: -31.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -332.458580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.458580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.458580 (E_RNA)
where:
Base-Base interactions energy: -220.477
where: short stacking energy: -92.188
Base-Backbone interact. energy: -1.799
local terms energy: -110.182781
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -34.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -315.522086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.522086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.522086 (E_RNA)
where:
Base-Base interactions energy: -207.696
where: short stacking energy: -92.990
Base-Backbone interact. energy: -0.588
local terms energy: -107.237500
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -25.947
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -28.441
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: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -254.258838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.258838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.258838 (E_RNA)
where:
Base-Base interactions energy: -155.702
where: short stacking energy: -71.767
Base-Backbone interact. energy: -0.173
local terms energy: -98.383891
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -16.977
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: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -218.262803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.262803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.262803 (E_RNA)
where:
Base-Base interactions energy: -135.045
where: short stacking energy: -75.652
Base-Backbone interact. energy: -0.734
local terms energy: -82.483554
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -12.048
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: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -180.322662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.322662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.322662 (E_RNA)
where:
Base-Base interactions energy: -110.190
where: short stacking energy: -52.372
Base-Backbone interact. energy: 2.442
local terms energy: -72.574627
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -144.899474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.899474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.899474 (E_RNA)
where:
Base-Base interactions energy: -73.399
where: short stacking energy: -53.173
Base-Backbone interact. energy: -1.349
local terms energy: -70.151579
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -104.856753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.856753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.856753 (E_RNA)
where:
Base-Base interactions energy: -43.938
where: short stacking energy: -39.869
Base-Backbone interact. energy: -0.299
local terms energy: -60.619771
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: 0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -103.862046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.862046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.862046 (E_RNA)
where:
Base-Base interactions energy: -47.226
where: short stacking energy: -39.991
Base-Backbone interact. energy: -0.366
local terms energy: -56.269798
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -343.692356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.692356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.692356 (E_RNA)
where:
Base-Base interactions energy: -231.175
where: short stacking energy: -100.699
Base-Backbone interact. energy: -1.639
local terms energy: -110.878568
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -30.335
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: 2, replica: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -338.459184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.459184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.459184 (E_RNA)
where:
Base-Base interactions energy: -232.794
where: short stacking energy: -99.095
Base-Backbone interact. energy: -1.675
local terms energy: -103.990991
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -32.131
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: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -318.453994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.453994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.453994 (E_RNA)
where:
Base-Base interactions energy: -217.009
where: short stacking energy: -90.438
Base-Backbone interact. energy: -1.202
local terms energy: -100.242598
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -31.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -328.514562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.514562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.514562 (E_RNA)
where:
Base-Base interactions energy: -221.904
where: short stacking energy: -98.415
Base-Backbone interact. energy: -0.886
local terms energy: -105.725210
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -32.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -250.968228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.968228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.968228 (E_RNA)
where:
Base-Base interactions energy: -159.970
where: short stacking energy: -69.454
Base-Backbone interact. energy: 0.272
local terms energy: -91.270807
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -17.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -259.565913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.565913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.565913 (E_RNA)
where:
Base-Base interactions energy: -160.650
where: short stacking energy: -73.580
Base-Backbone interact. energy: -1.054
local terms energy: -97.861348
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -115.281461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.281461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.281461 (E_RNA)
where:
Base-Base interactions energy: -48.351
where: short stacking energy: -36.026
Base-Backbone interact. energy: -0.351
local terms energy: -66.579375
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: 0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -157.906237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.906237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.906237 (E_RNA)
where:
Base-Base interactions energy: -90.367
where: short stacking energy: -42.650
Base-Backbone interact. energy: -0.401
local terms energy: -67.137780
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -2.611
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: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -105.087860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.087860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.087860 (E_RNA)
where:
Base-Base interactions energy: -37.969
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.194
local terms energy: -66.924684
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -8.588
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: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -133.290403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.290403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.290403 (E_RNA)
where:
Base-Base interactions energy: -77.281
where: short stacking energy: -44.225
Base-Backbone interact. energy: -0.390
local terms energy: -55.618822
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -8.617
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: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -345.032189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.032189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.032189 (E_RNA)
where:
Base-Base interactions energy: -227.484
where: short stacking energy: -97.849
Base-Backbone interact. energy: -1.433
local terms energy: -116.114768
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -23.838
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -33.766
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: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -328.682405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.682405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.682405 (E_RNA)
where:
Base-Base interactions energy: -226.016
where: short stacking energy: -95.863
Base-Backbone interact. energy: -0.009
local terms energy: -102.657285
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -23.850
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -29.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -337.245863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.245863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.245863 (E_RNA)
where:
Base-Base interactions energy: -227.015
where: short stacking energy: -100.116
Base-Backbone interact. energy: -1.590
local terms energy: -108.641186
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -31.756
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: 4, replica: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -328.832856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.832856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.832856 (E_RNA)
where:
Base-Base interactions energy: -215.055
where: short stacking energy: -105.712
Base-Backbone interact. energy: -1.186
local terms energy: -112.591935
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -31.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -266.356955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.356955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.356955 (E_RNA)
where:
Base-Base interactions energy: -170.313
where: short stacking energy: -83.906
Base-Backbone interact. energy: -0.090
local terms energy: -95.954070
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -26.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -254.395284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.395284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.395284 (E_RNA)
where:
Base-Base interactions energy: -158.965
where: short stacking energy: -75.407
Base-Backbone interact. energy: -0.725
local terms energy: -94.705551
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -110.483354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.483354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.483354 (E_RNA)
where:
Base-Base interactions energy: -44.652
where: short stacking energy: -40.911
Base-Backbone interact. energy: -0.171
local terms energy: -65.660086
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -6.176
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: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -188.898813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.898813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.898813 (E_RNA)
where:
Base-Base interactions energy: -110.699
where: short stacking energy: -48.497
Base-Backbone interact. energy: -0.031
local terms energy: -78.168669
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -8.638
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: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -121.804607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.804607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.804607 (E_RNA)
where:
Base-Base interactions energy: -42.991
where: short stacking energy: -38.915
Base-Backbone interact. energy: 0.751
local terms energy: -79.564826
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -12.943
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: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -107.579457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.579457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.579457 (E_RNA)
where:
Base-Base interactions energy: -37.741
where: short stacking energy: -36.007
Base-Backbone interact. energy: -0.963
local terms energy: -68.876162
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -14.414
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: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -339.757762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.757762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.757762 (E_RNA)
where:
Base-Base interactions energy: -234.301
where: short stacking energy: -96.174
Base-Backbone interact. energy: -0.108
local terms energy: -105.348695
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -22.511
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -27.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -327.998551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.998551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.998551 (E_RNA)
where:
Base-Base interactions energy: -215.935
where: short stacking energy: -88.534
Base-Backbone interact. energy: -0.008
local terms energy: -112.056085
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -29.225
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: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -332.212471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.212471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.212471 (E_RNA)
where:
Base-Base interactions energy: -221.102
where: short stacking energy: -105.870
Base-Backbone interact. energy: -0.171
local terms energy: -110.938884
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -33.100
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: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -331.209300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.209300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.209300 (E_RNA)
where:
Base-Base interactions energy: -220.976
where: short stacking energy: -94.591
Base-Backbone interact. energy: -0.099
local terms energy: -110.134042
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -29.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -258.560470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.560470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.560470 (E_RNA)
where:
Base-Base interactions energy: -158.998
where: short stacking energy: -85.040
Base-Backbone interact. energy: -0.285
local terms energy: -99.277941
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -21.612
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -23.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -249.352951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.352951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.352951 (E_RNA)
where:
Base-Base interactions energy: -163.156
where: short stacking energy: -82.339
Base-Backbone interact. energy: -0.887
local terms energy: -85.309779
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -26.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -165.898461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.898461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.898461 (E_RNA)
where:
Base-Base interactions energy: -95.091
where: short stacking energy: -44.193
Base-Backbone interact. energy: -0.416
local terms energy: -70.391543
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -119.717813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.717813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.717813 (E_RNA)
where:
Base-Base interactions energy: -53.722
where: short stacking energy: -51.435
Base-Backbone interact. energy: -0.206
local terms energy: -65.790365
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -10.902
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: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -111.988299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.988299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.988299 (E_RNA)
where:
Base-Base interactions energy: -55.063
where: short stacking energy: -46.693
Base-Backbone interact. energy: 0.459
local terms energy: -57.383561
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -103.732675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.732675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.732675 (E_RNA)
where:
Base-Base interactions energy: -36.447
where: short stacking energy: -25.607
Base-Backbone interact. energy: -0.229
local terms energy: -67.056686
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -349.577327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.577327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.577327 (E_RNA)
where:
Base-Base interactions energy: -230.294
where: short stacking energy: -104.597
Base-Backbone interact. energy: -1.742
local terms energy: -117.541687
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -23.989
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -31.076
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: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -338.971828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.971828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.971828 (E_RNA)
where:
Base-Base interactions energy: -223.987
where: short stacking energy: -92.959
Base-Backbone interact. energy: -0.539
local terms energy: -114.446061
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -30.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -330.617961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.617961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.617961 (E_RNA)
where:
Base-Base interactions energy: -219.116
where: short stacking energy: -98.448
Base-Backbone interact. energy: -0.809
local terms energy: -110.693492
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -25.552
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -30.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -318.153542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.153542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.153542 (E_RNA)
where:
Base-Base interactions energy: -208.802
where: short stacking energy: -96.334
Base-Backbone interact. energy: -0.587
local terms energy: -108.764271
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -29.191
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: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -255.503608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.503608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.503608 (E_RNA)
where:
Base-Base interactions energy: -165.655
where: short stacking energy: -86.114
Base-Backbone interact. energy: -0.385
local terms energy: -89.462900
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -231.845794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.845794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.845794 (E_RNA)
where:
Base-Base interactions energy: -144.719
where: short stacking energy: -58.013
Base-Backbone interact. energy: -0.563
local terms energy: -86.563443
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -13.964
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: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -125.308746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.308746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.308746 (E_RNA)
where:
Base-Base interactions energy: -49.535
where: short stacking energy: -45.815
Base-Backbone interact. energy: -0.307
local terms energy: -75.466232
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -11.909
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: 8, replica: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -108.289816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.289816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.289816 (E_RNA)
where:
Base-Base interactions energy: -49.176
where: short stacking energy: -49.276
Base-Backbone interact. energy: -0.123
local terms energy: -58.989937
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -120.445350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.445350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.445350 (E_RNA)
where:
Base-Base interactions energy: -48.614
where: short stacking energy: -48.614
Base-Backbone interact. energy: -0.160
local terms energy: -71.670636
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -1.812
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: 213
Temperature: 1.350000
Total energy: -104.140253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.140253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.140253 (E_RNA)
where:
Base-Base interactions energy: -38.804
where: short stacking energy: -33.189
Base-Backbone interact. energy: -0.299
local terms energy: -65.037710
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: 0.718
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: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -355.375969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.375969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.375969 (E_RNA)
where:
Base-Base interactions energy: -237.359
where: short stacking energy: -106.411
Base-Backbone interact. energy: -1.134
local terms energy: -116.883104
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -35.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -332.179956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.179956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.179956 (E_RNA)
where:
Base-Base interactions energy: -228.352
where: short stacking energy: -95.223
Base-Backbone interact. energy: 0.194
local terms energy: -104.021402
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -31.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -314.578287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.578287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.578287 (E_RNA)
where:
Base-Base interactions energy: -215.074
where: short stacking energy: -100.502
Base-Backbone interact. energy: -0.096
local terms energy: -99.408232
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -30.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -310.482219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.482219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.482219 (E_RNA)
where:
Base-Base interactions energy: -216.190
where: short stacking energy: -88.855
Base-Backbone interact. energy: -1.156
local terms energy: -93.135506
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -25.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -240.607714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.607714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.607714 (E_RNA)
where:
Base-Base interactions energy: -146.232
where: short stacking energy: -70.224
Base-Backbone interact. energy: -0.746
local terms energy: -93.630368
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -259.634482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.634482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.634482 (E_RNA)
where:
Base-Base interactions energy: -168.332
where: short stacking energy: -82.636
Base-Backbone interact. energy: 1.067
local terms energy: -92.369152
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -20.617
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: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -124.866435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.866435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.866435 (E_RNA)
where:
Base-Base interactions energy: -45.880
where: short stacking energy: -45.722
Base-Backbone interact. energy: -0.364
local terms energy: -78.622548
where:
bonds (distance) C4'-P energy: -24.129
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -8.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -111.378635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.378635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.378635 (E_RNA)
where:
Base-Base interactions energy: -41.954
where: short stacking energy: -38.819
Base-Backbone interact. energy: -1.124
local terms energy: -68.301039
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -107.459361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.459361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.459361 (E_RNA)
where:
Base-Base interactions energy: -44.426
where: short stacking energy: -40.599
Base-Backbone interact. energy: -0.317
local terms energy: -62.716415
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: 0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -107.373126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.373126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.373126 (E_RNA)
where:
Base-Base interactions energy: -36.729
where: short stacking energy: -37.552
Base-Backbone interact. energy: -0.201
local terms energy: -70.443742
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -6.884
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: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -351.603429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.603429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.603429 (E_RNA)
where:
Base-Base interactions energy: -236.576
where: short stacking energy: -102.555
Base-Backbone interact. energy: -1.918
local terms energy: -113.110203
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -23.198
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -28.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -328.961355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.961355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.961355 (E_RNA)
where:
Base-Base interactions energy: -213.412
where: short stacking energy: -95.215
Base-Backbone interact. energy: 0.203
local terms energy: -115.751747
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -29.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -326.304741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.304741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.304741 (E_RNA)
where:
Base-Base interactions energy: -227.826
where: short stacking energy: -96.079
Base-Backbone interact. energy: -0.006
local terms energy: -98.472057
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -28.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -320.458385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.458385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.458385 (E_RNA)
where:
Base-Base interactions energy: -224.752
where: short stacking energy: -92.749
Base-Backbone interact. energy: -1.120
local terms energy: -94.586122
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -27.100
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: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -264.267738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.267738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.267738 (E_RNA)
where:
Base-Base interactions energy: -169.552
where: short stacking energy: -67.727
Base-Backbone interact. energy: -0.571
local terms energy: -94.144049
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -21.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -258.295085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.295085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.295085 (E_RNA)
where:
Base-Base interactions energy: -170.057
where: short stacking energy: -85.772
Base-Backbone interact. energy: -1.353
local terms energy: -86.885398
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -23.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -137.612445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.612445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.612445 (E_RNA)
where:
Base-Base interactions energy: -61.344
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.218
local terms energy: -76.050868
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -111.624751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.624751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.624751 (E_RNA)
where:
Base-Base interactions energy: -43.868
where: short stacking energy: -41.803
Base-Backbone interact. energy: -0.526
local terms energy: -67.230440
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: 0.238
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: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -123.905552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.905552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.905552 (E_RNA)
where:
Base-Base interactions energy: -53.828
where: short stacking energy: -24.555
Base-Backbone interact. energy: -0.503
local terms energy: -69.574091
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -103.278707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.278707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.278707 (E_RNA)
where:
Base-Base interactions energy: -40.096
where: short stacking energy: -36.269
Base-Backbone interact. energy: 0.199
local terms energy: -63.380983
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -12.946
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: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -351.633342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.633342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.633342 (E_RNA)
where:
Base-Base interactions energy: -233.786
where: short stacking energy: -101.260
Base-Backbone interact. energy: -1.813
local terms energy: -116.034359
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -24.062
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -33.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -341.650584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.650584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.650584 (E_RNA)
where:
Base-Base interactions energy: -228.172
where: short stacking energy: -96.008
Base-Backbone interact. energy: -2.090
local terms energy: -111.388641
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -21.749
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -31.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -318.363766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.363766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.363766 (E_RNA)
where:
Base-Base interactions energy: -207.581
where: short stacking energy: -91.341
Base-Backbone interact. energy: -0.736
local terms energy: -110.046058
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -31.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -334.826661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.826661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.826661 (E_RNA)
where:
Base-Base interactions energy: -230.664
where: short stacking energy: -96.243
Base-Backbone interact. energy: -1.705
local terms energy: -102.457801
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -23.681
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: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -265.510955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.510955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.510955 (E_RNA)
where:
Base-Base interactions energy: -172.860
where: short stacking energy: -82.647
Base-Backbone interact. energy: -0.031
local terms energy: -92.619899
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -248.362385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.362385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.362385 (E_RNA)
where:
Base-Base interactions energy: -162.373
where: short stacking energy: -72.579
Base-Backbone interact. energy: -0.981
local terms energy: -85.008231
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -12.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -121.488164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.488164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.488164 (E_RNA)
where:
Base-Base interactions energy: -40.085
where: short stacking energy: -40.085
Base-Backbone interact. energy: -0.139
local terms energy: -81.263894
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -10.235
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: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -110.056499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.056499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.056499 (E_RNA)
where:
Base-Base interactions energy: -47.524
where: short stacking energy: -43.299
Base-Backbone interact. energy: 1.854
local terms energy: -64.385959
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -6.944
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: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -111.550988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.550988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.550988 (E_RNA)
where:
Base-Base interactions energy: -42.147
where: short stacking energy: -32.460
Base-Backbone interact. energy: -0.150
local terms energy: -69.253854
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -107.294494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.294494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.294494 (E_RNA)
where:
Base-Base interactions energy: -38.457
where: short stacking energy: -34.482
Base-Backbone interact. energy: 0.298
local terms energy: -69.135026
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -341.837049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.837049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.837049 (E_RNA)
where:
Base-Base interactions energy: -224.606
where: short stacking energy: -99.672
Base-Backbone interact. energy: -1.106
local terms energy: -116.124443
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -31.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -338.938178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.938178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.938178 (E_RNA)
where:
Base-Base interactions energy: -234.456
where: short stacking energy: -103.456
Base-Backbone interact. energy: -1.006
local terms energy: -103.476267
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -29.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -318.723168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.723168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.723168 (E_RNA)
where:
Base-Base interactions energy: -209.872
where: short stacking energy: -98.035
Base-Backbone interact. energy: -0.028
local terms energy: -108.822998
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -30.315
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: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -326.217725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.217725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.217725 (E_RNA)
where:
Base-Base interactions energy: -227.333
where: short stacking energy: -92.765
Base-Backbone interact. energy: -0.091
local terms energy: -98.794150
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -28.181
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: 217
Temperature: 1.100000
Total energy: -272.583467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.583467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.583467 (E_RNA)
where:
Base-Base interactions energy: -172.136
where: short stacking energy: -89.217
Base-Backbone interact. energy: -0.582
local terms energy: -99.865307
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -26.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -256.075361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.075361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.075361 (E_RNA)
where:
Base-Base interactions energy: -175.014
where: short stacking energy: -77.837
Base-Backbone interact. energy: -0.511
local terms energy: -80.550610
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -115.046234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.046234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.046234 (E_RNA)
where:
Base-Base interactions energy: -40.424
where: short stacking energy: -40.424
Base-Backbone interact. energy: -0.214
local terms energy: -74.408897
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -4.489
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: 8, replica: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -119.562286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.562286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.562286 (E_RNA)
where:
Base-Base interactions energy: -58.171
where: short stacking energy: -40.564
Base-Backbone interact. energy: -0.319
local terms energy: -61.071658
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -107.528759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.528759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.528759 (E_RNA)
where:
Base-Base interactions energy: -49.812
where: short stacking energy: -33.372
Base-Backbone interact. energy: -1.299
local terms energy: -56.417300
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -103.206703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.206703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.206703 (E_RNA)
where:
Base-Base interactions energy: -44.203
where: short stacking energy: -21.745
Base-Backbone interact. energy: 0.600
local terms energy: -59.603804
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: 5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -338.860088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.860088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.860088 (E_RNA)
where:
Base-Base interactions energy: -224.250
where: short stacking energy: -92.097
Base-Backbone interact. energy: -1.248
local terms energy: -113.362327
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -31.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -334.248369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.248369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.248369 (E_RNA)
where:
Base-Base interactions energy: -230.269
where: short stacking energy: -104.320
Base-Backbone interact. energy: -1.410
local terms energy: -102.569404
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -22.499
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -30.486
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: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -330.086248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.086248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.086248 (E_RNA)
where:
Base-Base interactions energy: -216.806
where: short stacking energy: -108.278
Base-Backbone interact. energy: -0.901
local terms energy: -112.379268
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -22.508
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -31.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -305.483469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.483469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.483469 (E_RNA)
where:
Base-Base interactions energy: -198.878
where: short stacking energy: -80.616
Base-Backbone interact. energy: -0.885
local terms energy: -105.720862
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -27.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -279.158089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.158089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.158089 (E_RNA)
where:
Base-Base interactions energy: -174.020
where: short stacking energy: -97.629
Base-Backbone interact. energy: -1.456
local terms energy: -103.682707
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -22.465
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -29.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -264.276706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.276706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.276706 (E_RNA)
where:
Base-Base interactions energy: -172.453
where: short stacking energy: -85.396
Base-Backbone interact. energy: 0.251
local terms energy: -92.075245
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -121.711843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.711843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.711843 (E_RNA)
where:
Base-Base interactions energy: -47.490
where: short stacking energy: -46.996
Base-Backbone interact. energy: -0.614
local terms energy: -73.608388
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -113.230057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.230057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.230057 (E_RNA)
where:
Base-Base interactions energy: -42.545
where: short stacking energy: -41.387
Base-Backbone interact. energy: 0.265
local terms energy: -70.949668
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -10.261
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: 9, replica: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -126.663446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.663446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.663446 (E_RNA)
where:
Base-Base interactions energy: -39.576
where: short stacking energy: -38.259
Base-Backbone interact. energy: -0.112
local terms energy: -86.975016
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -113.525829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.525829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.525829 (E_RNA)
where:
Base-Base interactions energy: -36.788
where: short stacking energy: -30.530
Base-Backbone interact. energy: -0.672
local terms energy: -76.066493
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -345.130691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.130691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.130691 (E_RNA)
where:
Base-Base interactions energy: -232.509
where: short stacking energy: -102.758
Base-Backbone interact. energy: -1.530
local terms energy: -111.092116
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -32.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -332.113295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.113295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.113295 (E_RNA)
where:
Base-Base interactions energy: -225.073
where: short stacking energy: -103.105
Base-Backbone interact. energy: -1.865
local terms energy: -105.175081
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -20.879
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -32.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -323.037825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.037825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.037825 (E_RNA)
where:
Base-Base interactions energy: -222.510
where: short stacking energy: -96.883
Base-Backbone interact. energy: -0.211
local terms energy: -100.316665
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -26.228
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: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -274.277134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.277134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.277134 (E_RNA)
where:
Base-Base interactions energy: -173.715
where: short stacking energy: -71.775
Base-Backbone interact. energy: -0.351
local terms energy: -100.210543
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -284.271806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.271806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.271806 (E_RNA)
where:
Base-Base interactions energy: -183.426
where: short stacking energy: -75.675
Base-Backbone interact. energy: -0.535
local terms energy: -100.310252
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -257.497460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.497460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.497460 (E_RNA)
where:
Base-Base interactions energy: -162.624
where: short stacking energy: -79.066
Base-Backbone interact. energy: -0.271
local terms energy: -94.602302
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -21.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -120.611466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.611466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.611466 (E_RNA)
where:
Base-Base interactions energy: -44.924
where: short stacking energy: -32.927
Base-Backbone interact. energy: -0.231
local terms energy: -75.455907
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -24.639
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -123.640483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.640483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.640483 (E_RNA)
where:
Base-Base interactions energy: -60.506
where: short stacking energy: -47.903
Base-Backbone interact. energy: -0.478
local terms energy: -62.656564
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -121.269225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.269225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.269225 (E_RNA)
where:
Base-Base interactions energy: -43.102
where: short stacking energy: -43.102
Base-Backbone interact. energy: -0.051
local terms energy: -78.115712
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -101.525085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.525085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.525085 (E_RNA)
where:
Base-Base interactions energy: -42.377
where: short stacking energy: -33.644
Base-Backbone interact. energy: -0.487
local terms energy: -58.660936
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -341.900402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.900402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.900402 (E_RNA)
where:
Base-Base interactions energy: -226.312
where: short stacking energy: -96.977
Base-Backbone interact. energy: -0.840
local terms energy: -114.747599
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -24.248
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: -32.088
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: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -337.782378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.782378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.782378 (E_RNA)
where:
Base-Base interactions energy: -228.027
where: short stacking energy: -100.449
Base-Backbone interact. energy: -1.214
local terms energy: -108.541308
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -29.690
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: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -280.062656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.062656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.062656 (E_RNA)
where:
Base-Base interactions energy: -177.749
where: short stacking energy: -88.085
Base-Backbone interact. energy: -0.494
local terms energy: -101.819235
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -319.008758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.008758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.008758 (E_RNA)
where:
Base-Base interactions energy: -205.008
where: short stacking energy: -90.480
Base-Backbone interact. energy: -1.661
local terms energy: -112.339578
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -27.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -267.717680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.717680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.717680 (E_RNA)
where:
Base-Base interactions energy: -173.216
where: short stacking energy: -83.754
Base-Backbone interact. energy: -0.488
local terms energy: -94.014438
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -25.047
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: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -268.969363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.969363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.969363 (E_RNA)
where:
Base-Base interactions energy: -166.506
where: short stacking energy: -78.679
Base-Backbone interact. energy: -0.166
local terms energy: -102.297658
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -27.014
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: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -120.748779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.748779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.748779 (E_RNA)
where:
Base-Base interactions energy: -47.524
where: short stacking energy: -44.304
Base-Backbone interact. energy: -0.213
local terms energy: -73.011174
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -11.848
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: 8, replica: 2
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -122.266094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.266094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.266094 (E_RNA)
where:
Base-Base interactions energy: -51.215
where: short stacking energy: -48.387
Base-Backbone interact. energy: 0.556
local terms energy: -71.607377
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -13.682
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: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -131.012022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.012022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.012022 (E_RNA)
where:
Base-Base interactions energy: -64.899
where: short stacking energy: -37.169
Base-Backbone interact. energy: 1.391
local terms energy: -67.504943
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -108.107637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.107637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.107637 (E_RNA)
where:
Base-Base interactions energy: -30.763
where: short stacking energy: -27.585
Base-Backbone interact. energy: 0.616
local terms energy: -77.960176
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -7.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -348.991368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.991368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.991368 (E_RNA)
where:
Base-Base interactions energy: -230.389
where: short stacking energy: -107.192
Base-Backbone interact. energy: -0.930
local terms energy: -117.673063
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -31.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -333.465718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.465718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.465718 (E_RNA)
where:
Base-Base interactions energy: -218.364
where: short stacking energy: -93.395
Base-Backbone interact. energy: -0.001
local terms energy: -115.100297
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -25.649
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -31.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -279.245446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.245446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.245446 (E_RNA)
where:
Base-Base interactions energy: -174.558
where: short stacking energy: -90.082
Base-Backbone interact. energy: 0.460
local terms energy: -105.147080
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -26.371
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: 4, replica: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -333.595491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.595491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.595491 (E_RNA)
where:
Base-Base interactions energy: -231.991
where: short stacking energy: -103.979
Base-Backbone interact. energy: -1.137
local terms energy: -100.466933
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -33.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -264.264166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.264166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.264166 (E_RNA)
where:
Base-Base interactions energy: -165.567
where: short stacking energy: -78.441
Base-Backbone interact. energy: -0.162
local terms energy: -98.535219
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -24.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -258.777822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.777822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.777822 (E_RNA)
where:
Base-Base interactions energy: -159.602
where: short stacking energy: -82.976
Base-Backbone interact. energy: -0.039
local terms energy: -99.137429
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: -25.108
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: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -124.880525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.880525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.880525 (E_RNA)
where:
Base-Base interactions energy: -46.855
where: short stacking energy: -42.880
Base-Backbone interact. energy: -1.360
local terms energy: -76.664835
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -22.959
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -123.468926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.468926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.468926 (E_RNA)
where:
Base-Base interactions energy: -48.419
where: short stacking energy: -44.618
Base-Backbone interact. energy: -0.366
local terms energy: -74.684265
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -115.184626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.184626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.184626 (E_RNA)
where:
Base-Base interactions energy: -47.587
where: short stacking energy: -40.936
Base-Backbone interact. energy: -0.262
local terms energy: -67.335476
where:
bonds (distance) C4'-P energy: -7.616
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -8.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -96.019297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.019297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.019297 (E_RNA)
where:
Base-Base interactions energy: -35.297
where: short stacking energy: -32.835
Base-Backbone interact. energy: 0.927
local terms energy: -61.649334
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: 1.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -334.719298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.719298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.719298 (E_RNA)
where:
Base-Base interactions energy: -218.139
where: short stacking energy: -96.169
Base-Backbone interact. energy: -0.049
local terms energy: -116.531016
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -24.079
flat angles C4'-P-C4' energy: -24.394
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -29.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -342.576854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.576854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.576854 (E_RNA)
where:
Base-Base interactions energy: -227.248
where: short stacking energy: -91.987
Base-Backbone interact. energy: -0.774
local terms energy: -114.554775
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -24.608
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -30.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -338.269056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.269056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.269056 (E_RNA)
where:
Base-Base interactions energy: -240.144
where: short stacking energy: -99.699
Base-Backbone interact. energy: -1.660
local terms energy: -96.465144
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -29.044
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: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -272.818000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.818000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.818000 (E_RNA)
where:
Base-Base interactions energy: -176.471
where: short stacking energy: -90.758
Base-Backbone interact. energy: -0.453
local terms energy: -95.894839
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -278.786176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.786176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.786176 (E_RNA)
where:
Base-Base interactions energy: -175.253
where: short stacking energy: -73.458
Base-Backbone interact. energy: -0.005
local terms energy: -103.528534
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -25.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -257.797871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.797871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.797871 (E_RNA)
where:
Base-Base interactions energy: -163.064
where: short stacking energy: -80.499
Base-Backbone interact. energy: -0.471
local terms energy: -94.262597
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -122.520203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.520203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.520203 (E_RNA)
where:
Base-Base interactions energy: -43.185
where: short stacking energy: -43.185
Base-Backbone interact. energy: -0.066
local terms energy: -79.268900
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -14.972
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: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -116.427143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.427143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.427143 (E_RNA)
where:
Base-Base interactions energy: -45.936
where: short stacking energy: -37.231
Base-Backbone interact. energy: -0.791
local terms energy: -69.700140
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -5.011
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: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -102.800985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.800985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.800985 (E_RNA)
where:
Base-Base interactions energy: -45.961
where: short stacking energy: -32.994
Base-Backbone interact. energy: 0.809
local terms energy: -57.649167
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -123.748716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.748716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.748716 (E_RNA)
where:
Base-Base interactions energy: -56.441
where: short stacking energy: -51.647
Base-Backbone interact. energy: -0.546
local terms energy: -66.762003
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -12.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -346.292141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.292141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.292141 (E_RNA)
where:
Base-Base interactions energy: -232.725
where: short stacking energy: -104.762
Base-Backbone interact. energy: -0.843
local terms energy: -112.725038
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -25.987
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -32.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -332.125324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.125324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.125324 (E_RNA)
where:
Base-Base interactions energy: -221.896
where: short stacking energy: -90.296
Base-Backbone interact. energy: -0.631
local terms energy: -109.598030
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -32.352
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: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -338.814192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.814192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.814192 (E_RNA)
where:
Base-Base interactions energy: -229.477
where: short stacking energy: -101.262
Base-Backbone interact. energy: -0.492
local terms energy: -108.845500
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -22.803
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -32.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -284.253922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.253922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.253922 (E_RNA)
where:
Base-Base interactions energy: -187.264
where: short stacking energy: -89.979
Base-Backbone interact. energy: -0.091
local terms energy: -96.899257
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -28.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -279.153009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.153009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.153009 (E_RNA)
where:
Base-Base interactions energy: -175.430
where: short stacking energy: -84.680
Base-Backbone interact. energy: -0.186
local terms energy: -103.536784
where:
bonds (distance) C4'-P energy: -24.255
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -242.903393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.903393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.903393 (E_RNA)
where:
Base-Base interactions energy: -147.311
where: short stacking energy: -73.668
Base-Backbone interact. energy: -0.238
local terms energy: -95.354479
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -16.799
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: 7, replica: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -130.586370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.586370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.586370 (E_RNA)
where:
Base-Base interactions energy: -60.735
where: short stacking energy: -57.994
Base-Backbone interact. energy: -0.008
local terms energy: -69.843936
where:
bonds (distance) C4'-P energy: -23.997
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: 0.139
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -117.797837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.797837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.797837 (E_RNA)
where:
Base-Base interactions energy: -59.242
where: short stacking energy: -34.169
Base-Backbone interact. energy: -0.159
local terms energy: -58.396928
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -10.726
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: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -110.732027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.732027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.732027 (E_RNA)
where:
Base-Base interactions energy: -43.695
where: short stacking energy: -36.148
Base-Backbone interact. energy: 0.452
local terms energy: -67.488220
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -8.069
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: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -103.983291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.983291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.983291 (E_RNA)
where:
Base-Base interactions energy: -47.888
where: short stacking energy: -39.302
Base-Backbone interact. energy: 0.379
local terms energy: -56.474178
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -338.315133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.315133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.315133 (E_RNA)
where:
Base-Base interactions energy: -227.559
where: short stacking energy: -102.020
Base-Backbone interact. energy: -0.659
local terms energy: -110.097398
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -33.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -345.098426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.098426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.098426 (E_RNA)
where:
Base-Base interactions energy: -235.147
where: short stacking energy: -106.485
Base-Backbone interact. energy: -0.635
local terms energy: -109.315533
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: -30.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -328.702340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.702340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.702340 (E_RNA)
where:
Base-Base interactions energy: -222.668
where: short stacking energy: -89.455
Base-Backbone interact. energy: -0.739
local terms energy: -105.295670
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -29.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -321.243765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.243765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.243765 (E_RNA)
where:
Base-Base interactions energy: -223.401
where: short stacking energy: -92.337
Base-Backbone interact. energy: -0.151
local terms energy: -97.691720
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -25.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -282.782633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.782633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.782633 (E_RNA)
where:
Base-Base interactions energy: -181.609
where: short stacking energy: -90.084
Base-Backbone interact. energy: -0.012
local terms energy: -101.160960
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -27.768
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: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -257.790536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.790536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.790536 (E_RNA)
where:
Base-Base interactions energy: -164.780
where: short stacking energy: -71.556
Base-Backbone interact. energy: -0.016
local terms energy: -92.994446
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -13.933
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: 7, replica: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -122.803919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.803919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.803919 (E_RNA)
where:
Base-Base interactions energy: -45.165
where: short stacking energy: -44.085
Base-Backbone interact. energy: 1.084
local terms energy: -78.723138
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -115.998731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.998731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.998731 (E_RNA)
where:
Base-Base interactions energy: -48.621
where: short stacking energy: -45.515
Base-Backbone interact. energy: -0.026
local terms energy: -67.350862
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -112.098014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.098014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.098014 (E_RNA)
where:
Base-Base interactions energy: -38.800
where: short stacking energy: -33.441
Base-Backbone interact. energy: -0.200
local terms energy: -73.097240
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -101.216116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.216116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.216116 (E_RNA)
where:
Base-Base interactions energy: -37.659
where: short stacking energy: -37.563
Base-Backbone interact. energy: -0.220
local terms energy: -63.336244
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -5.918
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: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -335.722481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.722481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.722481 (E_RNA)
where:
Base-Base interactions energy: -224.749
where: short stacking energy: -100.014
Base-Backbone interact. energy: -0.006
local terms energy: -110.966851
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -35.160
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: 225
Temperature: 0.950000
Total energy: -333.862040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.862040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.862040 (E_RNA)
where:
Base-Base interactions energy: -231.714
where: short stacking energy: -102.375
Base-Backbone interact. energy: -0.114
local terms energy: -102.033741
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -29.830
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: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -328.917450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.917450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.917450 (E_RNA)
where:
Base-Base interactions energy: -214.458
where: short stacking energy: -100.210
Base-Backbone interact. energy: 0.314
local terms energy: -114.774217
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -22.615
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -29.399
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: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -320.851460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.851460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.851460 (E_RNA)
where:
Base-Base interactions energy: -220.432
where: short stacking energy: -95.450
Base-Backbone interact. energy: -0.042
local terms energy: -100.377659
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -28.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -269.444663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.444663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.444663 (E_RNA)
where:
Base-Base interactions energy: -178.605
where: short stacking energy: -86.518
Base-Backbone interact. energy: -0.147
local terms energy: -90.692978
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -19.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -248.954521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.954521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.954521 (E_RNA)
where:
Base-Base interactions energy: -160.286
where: short stacking energy: -76.306
Base-Backbone interact. energy: -0.089
local terms energy: -88.580080
where:
bonds (distance) C4'-P energy: -9.600
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -167.267449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.267449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.267449 (E_RNA)
where:
Base-Base interactions energy: -84.526
where: short stacking energy: -51.329
Base-Backbone interact. energy: -0.548
local terms energy: -82.193346
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -25.820
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -12.347
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: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -121.375894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.375894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.375894 (E_RNA)
where:
Base-Base interactions energy: -49.171
where: short stacking energy: -42.282
Base-Backbone interact. energy: -0.897
local terms energy: -71.307802
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -112.066333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.066333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.066333 (E_RNA)
where:
Base-Base interactions energy: -45.902
where: short stacking energy: -44.217
Base-Backbone interact. energy: -0.071
local terms energy: -66.093196
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -108.333557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.333557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.333557 (E_RNA)
where:
Base-Base interactions energy: -54.529
where: short stacking energy: -30.344
Base-Backbone interact. energy: -0.511
local terms energy: -53.293711
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: 0.900
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: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -343.006653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.006653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.006653 (E_RNA)
where:
Base-Base interactions energy: -229.316
where: short stacking energy: -101.676
Base-Backbone interact. energy: -1.665
local terms energy: -112.025322
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -35.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -324.847873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.847873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.847873 (E_RNA)
where:
Base-Base interactions energy: -216.428
where: short stacking energy: -99.642
Base-Backbone interact. energy: -0.002
local terms energy: -108.417677
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -17.492
tors. eta vs tors. theta energy: -31.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -328.826000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.826000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.826000 (E_RNA)
where:
Base-Base interactions energy: -218.490
where: short stacking energy: -98.528
Base-Backbone interact. energy: -0.898
local terms energy: -109.438378
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -28.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -327.286493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.286493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.286493 (E_RNA)
where:
Base-Base interactions energy: -218.085
where: short stacking energy: -101.125
Base-Backbone interact. energy: 0.293
local terms energy: -109.494332
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -31.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -262.568123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.568123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.568123 (E_RNA)
where:
Base-Base interactions energy: -168.248
where: short stacking energy: -79.530
Base-Backbone interact. energy: -1.148
local terms energy: -93.172048
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -14.122
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: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -259.537917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.537917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.537917 (E_RNA)
where:
Base-Base interactions energy: -167.820
where: short stacking energy: -79.549
Base-Backbone interact. energy: -0.709
local terms energy: -91.008520
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -21.374
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -25.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -156.068844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.068844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.068844 (E_RNA)
where:
Base-Base interactions energy: -78.887
where: short stacking energy: -46.996
Base-Backbone interact. energy: 1.803
local terms energy: -78.984680
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -105.258786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.258786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.258786 (E_RNA)
where:
Base-Base interactions energy: -39.705
where: short stacking energy: -29.087
Base-Backbone interact. energy: 0.064
local terms energy: -65.617521
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: 2.630
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: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -108.285445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.285445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.285445 (E_RNA)
where:
Base-Base interactions energy: -47.742
where: short stacking energy: -34.793
Base-Backbone interact. energy: 0.871
local terms energy: -61.415112
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -106.796822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.796822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.796822 (E_RNA)
where:
Base-Base interactions energy: -43.053
where: short stacking energy: -42.161
Base-Backbone interact. energy: -0.623
local terms energy: -63.120399
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -343.828945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.828945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.828945 (E_RNA)
where:
Base-Base interactions energy: -230.513
where: short stacking energy: -100.827
Base-Backbone interact. energy: -1.005
local terms energy: -112.310090
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -34.246
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: 227
Temperature: 0.950000
Total energy: -329.707299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.707299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.707299 (E_RNA)
where:
Base-Base interactions energy: -222.628
where: short stacking energy: -105.518
Base-Backbone interact. energy: -0.663
local terms energy: -106.416226
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -20.407
tors. eta vs tors. theta energy: -30.085
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: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -324.083163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.083163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.083163 (E_RNA)
where:
Base-Base interactions energy: -218.733
where: short stacking energy: -98.008
Base-Backbone interact. energy: -1.774
local terms energy: -103.576386
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -27.952
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: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -341.723101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.723101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.723101 (E_RNA)
where:
Base-Base interactions energy: -234.506
where: short stacking energy: -106.735
Base-Backbone interact. energy: -1.644
local terms energy: -105.573007
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -31.582
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: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -248.673560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.673560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.673560 (E_RNA)
where:
Base-Base interactions energy: -152.636
where: short stacking energy: -68.514
Base-Backbone interact. energy: -0.172
local terms energy: -95.865653
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -249.058493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.058493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.058493 (E_RNA)
where:
Base-Base interactions energy: -155.333
where: short stacking energy: -75.544
Base-Backbone interact. energy: -0.634
local terms energy: -93.091340
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -128.530663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.530663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.530663 (E_RNA)
where:
Base-Base interactions energy: -51.838
where: short stacking energy: -35.485
Base-Backbone interact. energy: -0.542
local terms energy: -76.150788
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -107.869203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.869203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.869203 (E_RNA)
where:
Base-Base interactions energy: -38.534
where: short stacking energy: -35.129
Base-Backbone interact. energy: -0.171
local terms energy: -69.164542
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -122.010735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.010735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.010735 (E_RNA)
where:
Base-Base interactions energy: -59.100
where: short stacking energy: -34.495
Base-Backbone interact. energy: -0.403
local terms energy: -62.508395
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: 2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -114.618759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.618759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.618759 (E_RNA)
where:
Base-Base interactions energy: -39.402
where: short stacking energy: -38.842
Base-Backbone interact. energy: -0.039
local terms energy: -75.177312
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -352.419270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.419270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.419270 (E_RNA)
where:
Base-Base interactions energy: -238.412
where: short stacking energy: -106.854
Base-Backbone interact. energy: -1.762
local terms energy: -112.245841
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -35.144
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: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -345.731813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.731813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.731813 (E_RNA)
where:
Base-Base interactions energy: -234.607
where: short stacking energy: -105.862
Base-Backbone interact. energy: -2.321
local terms energy: -108.804299
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -31.566
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: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -325.601016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.601016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.601016 (E_RNA)
where:
Base-Base interactions energy: -223.287
where: short stacking energy: -95.277
Base-Backbone interact. energy: -0.643
local terms energy: -101.670970
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -26.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -322.505174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.505174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.505174 (E_RNA)
where:
Base-Base interactions energy: -219.630
where: short stacking energy: -98.749
Base-Backbone interact. energy: -0.526
local terms energy: -102.349560
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -31.642
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: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -256.748472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.748472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.748472 (E_RNA)
where:
Base-Base interactions energy: -164.603
where: short stacking energy: -67.599
Base-Backbone interact. energy: -2.670
local terms energy: -89.475626
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -265.264748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.264748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.264748 (E_RNA)
where:
Base-Base interactions energy: -169.296
where: short stacking energy: -84.433
Base-Backbone interact. energy: -0.216
local terms energy: -95.752578
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -124.043839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.043839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.043839 (E_RNA)
where:
Base-Base interactions energy: -47.025
where: short stacking energy: -30.532
Base-Backbone interact. energy: -0.558
local terms energy: -76.460334
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -130.801823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.801823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.801823 (E_RNA)
where:
Base-Base interactions energy: -59.222
where: short stacking energy: -41.341
Base-Backbone interact. energy: -0.199
local terms energy: -71.380142
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -9.063
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: 9, replica: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -109.070135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.070135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.070135 (E_RNA)
where:
Base-Base interactions energy: -41.810
where: short stacking energy: -38.919
Base-Backbone interact. energy: -0.447
local terms energy: -66.813368
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -105.100180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.100180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.100180 (E_RNA)
where:
Base-Base interactions energy: -37.342
where: short stacking energy: -35.258
Base-Backbone interact. energy: -0.101
local terms energy: -67.656936
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -346.899745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.899745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.899745 (E_RNA)
where:
Base-Base interactions energy: -231.612
where: short stacking energy: -101.507
Base-Backbone interact. energy: -0.058
local terms energy: -115.228956
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -22.555
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -33.702
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: 229
Temperature: 0.950000
Total energy: -340.032819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.032819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.032819 (E_RNA)
where:
Base-Base interactions energy: -226.952
where: short stacking energy: -100.716
Base-Backbone interact. energy: -0.594
local terms energy: -112.486889
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -23.325
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -33.994
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: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -324.972822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.972822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.972822 (E_RNA)
where:
Base-Base interactions energy: -213.341
where: short stacking energy: -93.618
Base-Backbone interact. energy: -0.002
local terms energy: -111.629613
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -24.669
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -26.825
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: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -273.322965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.322965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.322965 (E_RNA)
where:
Base-Base interactions energy: -180.360
where: short stacking energy: -87.465
Base-Backbone interact. energy: -0.763
local terms energy: -92.199843
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -23.226
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: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -310.238495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.238495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.238495 (E_RNA)
where:
Base-Base interactions energy: -202.327
where: short stacking energy: -92.588
Base-Backbone interact. energy: -0.724
local terms energy: -107.187921
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -29.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -274.910371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.910371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.910371 (E_RNA)
where:
Base-Base interactions energy: -178.089
where: short stacking energy: -87.047
Base-Backbone interact. energy: 1.038
local terms energy: -97.858448
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -21.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -121.797215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.797215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.797215 (E_RNA)
where:
Base-Base interactions energy: -61.497
where: short stacking energy: -35.163
Base-Backbone interact. energy: -0.738
local terms energy: -59.561507
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: 1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -113.962429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.962429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.962429 (E_RNA)
where:
Base-Base interactions energy: -50.917
where: short stacking energy: -50.569
Base-Backbone interact. energy: -0.155
local terms energy: -62.889840
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -5.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -104.521912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.521912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.521912 (E_RNA)
where:
Base-Base interactions energy: -33.554
where: short stacking energy: -32.937
Base-Backbone interact. energy: -0.081
local terms energy: -70.886771
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -102.521112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.521112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.521112 (E_RNA)
where:
Base-Base interactions energy: -33.680
where: short stacking energy: -34.445
Base-Backbone interact. energy: -0.624
local terms energy: -68.218044
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: 0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -340.924656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.924656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.924656 (E_RNA)
where:
Base-Base interactions energy: -230.552
where: short stacking energy: -105.095
Base-Backbone interact. energy: -2.101
local terms energy: -108.271112
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -32.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -327.161845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.161845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.161845 (E_RNA)
where:
Base-Base interactions energy: -223.847
where: short stacking energy: -89.290
Base-Backbone interact. energy: -0.965
local terms energy: -102.349824
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -25.848
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: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -338.997474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.997474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.997474 (E_RNA)
where:
Base-Base interactions energy: -224.515
where: short stacking energy: -103.027
Base-Backbone interact. energy: -0.465
local terms energy: -114.017461
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -33.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -273.788898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.788898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.788898 (E_RNA)
where:
Base-Base interactions energy: -171.478
where: short stacking energy: -88.350
Base-Backbone interact. energy: 0.110
local terms energy: -102.420977
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -24.998
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: 5, replica: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -323.163091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.163091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.163091 (E_RNA)
where:
Base-Base interactions energy: -219.808
where: short stacking energy: -95.841
Base-Backbone interact. energy: -0.216
local terms energy: -103.139064
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -22.872
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -31.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -245.678667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.678667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.678667 (E_RNA)
where:
Base-Base interactions energy: -162.944
where: short stacking energy: -76.302
Base-Backbone interact. energy: -0.413
local terms energy: -82.321971
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -142.213200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.213200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.213200 (E_RNA)
where:
Base-Base interactions energy: -57.448
where: short stacking energy: -52.800
Base-Backbone interact. energy: -0.623
local terms energy: -84.142097
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -11.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -116.069213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.069213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.069213 (E_RNA)
where:
Base-Base interactions energy: -40.993
where: short stacking energy: -36.002
Base-Backbone interact. energy: -0.175
local terms energy: -74.900806
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -103.052230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.052230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.052230 (E_RNA)
where:
Base-Base interactions energy: -39.297
where: short stacking energy: -26.077
Base-Backbone interact. energy: 0.023
local terms energy: -63.778110
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -6.634
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: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -123.463795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.463795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.463795 (E_RNA)
where:
Base-Base interactions energy: -36.941
where: short stacking energy: -38.341
Base-Backbone interact. energy: -0.113
local terms energy: -86.409857
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -12.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -341.253296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.253296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.253296 (E_RNA)
where:
Base-Base interactions energy: -229.188
where: short stacking energy: -101.486
Base-Backbone interact. energy: -0.573
local terms energy: -111.492664
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -32.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -338.290090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.290090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.290090 (E_RNA)
where:
Base-Base interactions energy: -232.965
where: short stacking energy: -106.511
Base-Backbone interact. energy: -0.329
local terms energy: -104.996326
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -32.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -329.934583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.934583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.934583 (E_RNA)
where:
Base-Base interactions energy: -220.646
where: short stacking energy: -92.294
Base-Backbone interact. energy: -0.005
local terms energy: -109.283983
where:
bonds (distance) C4'-P energy: -20.020
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -24.783
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -32.031
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: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -322.450229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.450229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.450229 (E_RNA)
where:
Base-Base interactions energy: -216.254
where: short stacking energy: -92.717
Base-Backbone interact. energy: 0.369
local terms energy: -106.565319
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -25.235
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -26.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -258.968885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.968885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.968885 (E_RNA)
where:
Base-Base interactions energy: -174.536
where: short stacking energy: -78.106
Base-Backbone interact. energy: -0.456
local terms energy: -83.976769
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -13.433
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: 231
Temperature: 1.150000
Total energy: -265.651942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.651942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.651942 (E_RNA)
where:
Base-Base interactions energy: -176.015
where: short stacking energy: -85.820
Base-Backbone interact. energy: -0.030
local terms energy: -89.607603
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -128.828404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.828404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.828404 (E_RNA)
where:
Base-Base interactions energy: -50.630
where: short stacking energy: -50.630
Base-Backbone interact. energy: -0.166
local terms energy: -78.032234
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -113.040457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.040457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.040457 (E_RNA)
where:
Base-Base interactions energy: -50.489
where: short stacking energy: -42.376
Base-Backbone interact. energy: 0.225
local terms energy: -62.776293
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -115.549884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.549884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.549884 (E_RNA)
where:
Base-Base interactions energy: -57.085
where: short stacking energy: -29.430
Base-Backbone interact. energy: -0.717
local terms energy: -57.747856
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -14.858
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: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -101.251301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.251301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.251301 (E_RNA)
where:
Base-Base interactions energy: -36.142
where: short stacking energy: -35.868
Base-Backbone interact. energy: -0.580
local terms energy: -64.529137
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -341.504562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.504562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.504562 (E_RNA)
where:
Base-Base interactions energy: -226.962
where: short stacking energy: -97.833
Base-Backbone interact. energy: -2.082
local terms energy: -112.460567
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -32.420
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: 232
Temperature: 0.950000
Total energy: -338.902487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.902487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.902487 (E_RNA)
where:
Base-Base interactions energy: -234.167
where: short stacking energy: -95.213
Base-Backbone interact. energy: -0.395
local terms energy: -104.339948
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -21.180
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -30.332
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: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -327.758851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.758851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.758851 (E_RNA)
where:
Base-Base interactions energy: -223.038
where: short stacking energy: -97.354
Base-Backbone interact. energy: -0.799
local terms energy: -103.921954
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -28.473
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: 4, replica: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -331.803365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.803365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.803365 (E_RNA)
where:
Base-Base interactions energy: -225.515
where: short stacking energy: -103.180
Base-Backbone interact. energy: -0.298
local terms energy: -105.990665
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -31.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -260.396136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.396136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.396136 (E_RNA)
where:
Base-Base interactions energy: -169.567
where: short stacking energy: -80.151
Base-Backbone interact. energy: -1.077
local terms energy: -89.752736
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -244.925030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.925030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.925030 (E_RNA)
where:
Base-Base interactions energy: -151.732
where: short stacking energy: -72.965
Base-Backbone interact. energy: -1.014
local terms energy: -92.178170
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -15.307
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: 7, replica: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -118.062366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.062366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.062366 (E_RNA)
where:
Base-Base interactions energy: -44.514
where: short stacking energy: -44.514
Base-Backbone interact. energy: -0.255
local terms energy: -73.292916
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -118.926857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.926857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.926857 (E_RNA)
where:
Base-Base interactions energy: -54.291
where: short stacking energy: -44.300
Base-Backbone interact. energy: 0.624
local terms energy: -65.259748
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -110.985304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.985304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.985304 (E_RNA)
where:
Base-Base interactions energy: -37.789
where: short stacking energy: -38.740
Base-Backbone interact. energy: -0.045
local terms energy: -73.150935
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -0.888
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: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -96.411547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.411547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.411547 (E_RNA)
where:
Base-Base interactions energy: -35.935
where: short stacking energy: -31.061
Base-Backbone interact. energy: -0.449
local terms energy: -60.027394
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -338.237104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.237104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.237104 (E_RNA)
where:
Base-Base interactions energy: -225.815
where: short stacking energy: -100.545
Base-Backbone interact. energy: -0.103
local terms energy: -112.318877
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -29.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -333.366383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.366383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.366383 (E_RNA)
where:
Base-Base interactions energy: -230.295
where: short stacking energy: -94.896
Base-Backbone interact. energy: 0.039
local terms energy: -103.110630
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -26.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -327.840578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.840578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.840578 (E_RNA)
where:
Base-Base interactions energy: -227.734
where: short stacking energy: -93.289
Base-Backbone interact. energy: -0.280
local terms energy: -99.827132
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -28.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -326.728549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.728549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.728549 (E_RNA)
where:
Base-Base interactions energy: -220.963
where: short stacking energy: -106.674
Base-Backbone interact. energy: -0.236
local terms energy: -105.529354
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -32.695
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: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -251.678964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.678964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.678964 (E_RNA)
where:
Base-Base interactions energy: -164.211
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.567
local terms energy: -86.901123
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -18.936
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: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -254.651792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.651792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.651792 (E_RNA)
where:
Base-Base interactions energy: -164.391
where: short stacking energy: -73.430
Base-Backbone interact. energy: -1.611
local terms energy: -88.649926
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -118.418085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.418085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.418085 (E_RNA)
where:
Base-Base interactions energy: -42.552
where: short stacking energy: -27.940
Base-Backbone interact. energy: -0.770
local terms energy: -75.096551
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -119.226290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.226290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.226290 (E_RNA)
where:
Base-Base interactions energy: -47.074
where: short stacking energy: -30.710
Base-Backbone interact. energy: 0.260
local terms energy: -72.412936
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -14.485
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: 9, replica: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -105.502450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.502450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.502450 (E_RNA)
where:
Base-Base interactions energy: -38.342
where: short stacking energy: -31.591
Base-Backbone interact. energy: -0.246
local terms energy: -66.914486
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -105.479390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.479390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.479390 (E_RNA)
where:
Base-Base interactions energy: -36.838
where: short stacking energy: -36.838
Base-Backbone interact. energy: -0.076
local terms energy: -68.565342
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -8.428
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: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -345.977048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.977048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.977048 (E_RNA)
where:
Base-Base interactions energy: -229.811
where: short stacking energy: -100.365
Base-Backbone interact. energy: -2.405
local terms energy: -113.760888
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -18.892
tors. eta vs tors. theta energy: -32.817
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: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -337.096554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.096554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.096554 (E_RNA)
where:
Base-Base interactions energy: -225.024
where: short stacking energy: -99.664
Base-Backbone interact. energy: -0.173
local terms energy: -111.899938
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -29.224
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: 3, replica: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -325.805098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.805098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.805098 (E_RNA)
where:
Base-Base interactions energy: -216.667
where: short stacking energy: -99.119
Base-Backbone interact. energy: -0.569
local terms energy: -108.568629
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -22.875
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -31.764
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: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -316.013993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.013993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.013993 (E_RNA)
where:
Base-Base interactions energy: -209.622
where: short stacking energy: -95.708
Base-Backbone interact. energy: -0.046
local terms energy: -106.346247
where:
bonds (distance) C4'-P energy: -23.248
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -27.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -262.140844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.140844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.140844 (E_RNA)
where:
Base-Base interactions energy: -165.563
where: short stacking energy: -89.028
Base-Backbone interact. energy: -1.218
local terms energy: -95.360830
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -260.308899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.308899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.308899 (E_RNA)
where:
Base-Base interactions energy: -173.182
where: short stacking energy: -89.676
Base-Backbone interact. energy: -0.627
local terms energy: -86.500237
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -23.797
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: 7, replica: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -115.835062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.835062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.835062 (E_RNA)
where:
Base-Base interactions energy: -48.731
where: short stacking energy: -34.475
Base-Backbone interact. energy: 0.116
local terms energy: -67.219980
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -6.777
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: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -117.030949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.030949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.030949 (E_RNA)
where:
Base-Base interactions energy: -44.868
where: short stacking energy: -40.615
Base-Backbone interact. energy: -0.269
local terms energy: -71.894012
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -111.938611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.938611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.938611 (E_RNA)
where:
Base-Base interactions energy: -37.010
where: short stacking energy: -27.695
Base-Backbone interact. energy: -0.262
local terms energy: -74.666586
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -22.198
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -13.183
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: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -95.354328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.354328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.354328 (E_RNA)
where:
Base-Base interactions energy: -34.042
where: short stacking energy: -29.162
Base-Backbone interact. energy: -0.135
local terms energy: -61.177487
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: 0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -340.823938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.823938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.823938 (E_RNA)
where:
Base-Base interactions energy: -224.175
where: short stacking energy: -97.649
Base-Backbone interact. energy: -0.667
local terms energy: -115.981685
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -32.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -337.611978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.611978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.611978 (E_RNA)
where:
Base-Base interactions energy: -223.077
where: short stacking energy: -100.918
Base-Backbone interact. energy: -2.273
local terms energy: -112.261471
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -31.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -326.922490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.922490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.922490 (E_RNA)
where:
Base-Base interactions energy: -220.732
where: short stacking energy: -96.916
Base-Backbone interact. energy: 0.116
local terms energy: -106.306190
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -31.861
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: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -305.877704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.877704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.877704 (E_RNA)
where:
Base-Base interactions energy: -210.362
where: short stacking energy: -94.050
Base-Backbone interact. energy: -0.162
local terms energy: -95.353465
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -29.212
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: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -258.691966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.691966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.691966 (E_RNA)
where:
Base-Base interactions energy: -154.957
where: short stacking energy: -79.814
Base-Backbone interact. energy: 0.855
local terms energy: -104.589848
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -22.739
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: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -265.396557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.396557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.396557 (E_RNA)
where:
Base-Base interactions energy: -172.522
where: short stacking energy: -75.353
Base-Backbone interact. energy: -2.074
local terms energy: -90.800663
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -23.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -121.648007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.648007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.648007 (E_RNA)
where:
Base-Base interactions energy: -55.827
where: short stacking energy: -39.174
Base-Backbone interact. energy: 4.143
local terms energy: -69.964069
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -147.190322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.190322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.190322 (E_RNA)
where:
Base-Base interactions energy: -81.220
where: short stacking energy: -48.711
Base-Backbone interact. energy: -0.222
local terms energy: -65.747752
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: 5.068
tors. eta vs tors. theta energy: -10.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -107.279628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.279628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.279628 (E_RNA)
where:
Base-Base interactions energy: -46.685
where: short stacking energy: -40.307
Base-Backbone interact. energy: -0.174
local terms energy: -60.421381
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -3.124
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: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -102.705949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.705949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.705949 (E_RNA)
where:
Base-Base interactions energy: -33.257
where: short stacking energy: -33.257
Base-Backbone interact. energy: -0.200
local terms energy: -69.248862
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -347.723776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.723776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.723776 (E_RNA)
where:
Base-Base interactions energy: -235.923
where: short stacking energy: -104.797
Base-Backbone interact. energy: -1.401
local terms energy: -110.400428
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -31.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -333.755042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.755042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.755042 (E_RNA)
where:
Base-Base interactions energy: -222.612
where: short stacking energy: -95.383
Base-Backbone interact. energy: -0.115
local terms energy: -111.027724
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -24.233
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -28.645
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: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -324.524593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.524593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.524593 (E_RNA)
where:
Base-Base interactions energy: -211.282
where: short stacking energy: -98.418
Base-Backbone interact. energy: -0.556
local terms energy: -112.685804
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -31.477
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: -332.443391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.443391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.443391 (E_RNA)
where:
Base-Base interactions energy: -225.189
where: short stacking energy: -109.128
Base-Backbone interact. energy: -0.668
local terms energy: -106.586269
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -33.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -262.219266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.219266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.219266 (E_RNA)
where:
Base-Base interactions energy: -165.379
where: short stacking energy: -85.486
Base-Backbone interact. energy: -0.064
local terms energy: -96.776673
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -21.008
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: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -247.536900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.536900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.536900 (E_RNA)
where:
Base-Base interactions energy: -164.989
where: short stacking energy: -78.099
Base-Backbone interact. energy: 2.381
local terms energy: -84.929463
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -11.189
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: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -132.680956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.680956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.680956 (E_RNA)
where:
Base-Base interactions energy: -58.887
where: short stacking energy: -43.308
Base-Backbone interact. energy: -0.545
local terms energy: -73.248534
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -110.331284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.331284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.331284 (E_RNA)
where:
Base-Base interactions energy: -35.421
where: short stacking energy: -35.621
Base-Backbone interact. energy: -0.181
local terms energy: -74.728960
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -110.245565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.245565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.245565 (E_RNA)
where:
Base-Base interactions energy: -46.068
where: short stacking energy: -40.138
Base-Backbone interact. energy: -0.876
local terms energy: -63.301366
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: 0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -101.906272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.906272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.906272 (E_RNA)
where:
Base-Base interactions energy: -39.893
where: short stacking energy: -39.893
Base-Backbone interact. energy: 0.114
local terms energy: -62.127092
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -343.673193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.673193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.673193 (E_RNA)
where:
Base-Base interactions energy: -228.078
where: short stacking energy: -101.449
Base-Backbone interact. energy: -0.701
local terms energy: -114.894807
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -31.931
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: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -337.513004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.513004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.513004 (E_RNA)
where:
Base-Base interactions energy: -221.660
where: short stacking energy: -104.412
Base-Backbone interact. energy: -0.881
local terms energy: -114.972598
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -29.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -319.784020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.784020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.784020 (E_RNA)
where:
Base-Base interactions energy: -218.547
where: short stacking energy: -95.990
Base-Backbone interact. energy: -0.005
local terms energy: -101.232589
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -30.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -332.046027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.046027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.046027 (E_RNA)
where:
Base-Base interactions energy: -223.620
where: short stacking energy: -97.509
Base-Backbone interact. energy: -0.297
local terms energy: -108.129213
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -31.136
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: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -267.065996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.065996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.065996 (E_RNA)
where:
Base-Base interactions energy: -170.571
where: short stacking energy: -81.420
Base-Backbone interact. energy: -0.065
local terms energy: -96.429542
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -23.739
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: 237
Temperature: 1.150000
Total energy: -260.502592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.502592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.502592 (E_RNA)
where:
Base-Base interactions energy: -179.426
where: short stacking energy: -81.316
Base-Backbone interact. energy: 1.066
local terms energy: -82.143119
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -10.491
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -22.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -170.958659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.958659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.958659 (E_RNA)
where:
Base-Base interactions energy: -93.076
where: short stacking energy: -55.885
Base-Backbone interact. energy: -0.010
local terms energy: -77.872594
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -9.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -112.256904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.256904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.256904 (E_RNA)
where:
Base-Base interactions energy: -35.432
where: short stacking energy: -35.632
Base-Backbone interact. energy: -0.181
local terms energy: -76.643750
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -104.253413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.253413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.253413 (E_RNA)
where:
Base-Base interactions energy: -39.213
where: short stacking energy: -37.510
Base-Backbone interact. energy: -0.063
local terms energy: -64.977848
where:
bonds (distance) C4'-P energy: -19.004
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -2.395
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: 237
Temperature: 1.350000
Total energy: -107.047536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.047536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.047536 (E_RNA)
where:
Base-Base interactions energy: -43.525
where: short stacking energy: -41.524
Base-Backbone interact. energy: -0.144
local terms energy: -63.379066
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -5.341
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: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -349.548528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.548528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.548528 (E_RNA)
where:
Base-Base interactions energy: -231.088
where: short stacking energy: -108.774
Base-Backbone interact. energy: -0.066
local terms energy: -118.394743
where:
bonds (distance) C4'-P energy: -24.184
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -33.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -342.229500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.229500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.229500 (E_RNA)
where:
Base-Base interactions energy: -233.060
where: short stacking energy: -101.178
Base-Backbone interact. energy: -0.929
local terms energy: -108.239943
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -33.157
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: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -326.365494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.365494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.365494 (E_RNA)
where:
Base-Base interactions energy: -212.470
where: short stacking energy: -93.719
Base-Backbone interact. energy: -1.019
local terms energy: -112.877199
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -24.392
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -29.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -313.021051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.021051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.021051 (E_RNA)
where:
Base-Base interactions energy: -212.502
where: short stacking energy: -85.548
Base-Backbone interact. energy: -0.104
local terms energy: -100.414824
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -25.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -251.268566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.268566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.268566 (E_RNA)
where:
Base-Base interactions energy: -158.571
where: short stacking energy: -81.650
Base-Backbone interact. energy: -0.299
local terms energy: -92.398444
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -264.056111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.056111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.056111 (E_RNA)
where:
Base-Base interactions energy: -179.561
where: short stacking energy: -96.998
Base-Backbone interact. energy: -1.092
local terms energy: -83.403281
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -26.600
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: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -161.505690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.505690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.505690 (E_RNA)
where:
Base-Base interactions energy: -93.888
where: short stacking energy: -60.400
Base-Backbone interact. energy: -0.243
local terms energy: -67.374766
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -119.791344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.791344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.791344 (E_RNA)
where:
Base-Base interactions energy: -50.337
where: short stacking energy: -42.233
Base-Backbone interact. energy: -0.350
local terms energy: -69.104492
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -25.498
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -100.850468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.850468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.850468 (E_RNA)
where:
Base-Base interactions energy: -37.215
where: short stacking energy: -34.861
Base-Backbone interact. energy: -0.097
local terms energy: -63.538616
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -6.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -121.406898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.406898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.406898 (E_RNA)
where:
Base-Base interactions energy: -53.859
where: short stacking energy: -26.573
Base-Backbone interact. energy: -0.510
local terms energy: -67.037439
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -2.090
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -339.477587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.477587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.477587 (E_RNA)
where:
Base-Base interactions energy: -227.116
where: short stacking energy: -99.326
Base-Backbone interact. energy: -1.352
local terms energy: -111.008738
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -28.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -339.015417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.015417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.015417 (E_RNA)
where:
Base-Base interactions energy: -222.476
where: short stacking energy: -103.500
Base-Backbone interact. energy: -1.608
local terms energy: -114.931625
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -24.795
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -33.510
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: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -330.971184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.971184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.971184 (E_RNA)
where:
Base-Base interactions energy: -226.451
where: short stacking energy: -91.700
Base-Backbone interact. energy: -0.080
local terms energy: -104.440213
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -23.952
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -31.421
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: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -290.771660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.771660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.771660 (E_RNA)
where:
Base-Base interactions energy: -187.469
where: short stacking energy: -83.474
Base-Backbone interact. energy: -1.070
local terms energy: -102.232325
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -26.976
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: 239
Temperature: 1.100000
Total energy: -273.538350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.538350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.538350 (E_RNA)
where:
Base-Base interactions energy: -180.648
where: short stacking energy: -87.462
Base-Backbone interact. energy: -0.113
local terms energy: -92.777684
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -23.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -213.529610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.529610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.529610 (E_RNA)
where:
Base-Base interactions energy: -119.014
where: short stacking energy: -64.840
Base-Backbone interact. energy: -1.082
local terms energy: -93.434380
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -261.492373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.492373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.492373 (E_RNA)
where:
Base-Base interactions energy: -167.852
where: short stacking energy: -73.757
Base-Backbone interact. energy: -1.262
local terms energy: -92.377638
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -15.600
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -115.837603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.837603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.837603 (E_RNA)
where:
Base-Base interactions energy: -39.290
where: short stacking energy: -39.290
Base-Backbone interact. energy: -0.599
local terms energy: -75.949241
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -14.715
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: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -109.031746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.031746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.031746 (E_RNA)
where:
Base-Base interactions energy: -55.922
where: short stacking energy: -43.814
Base-Backbone interact. energy: -0.303
local terms energy: -52.806741
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -6.602
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: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -98.118159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.118159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.118159 (E_RNA)
where:
Base-Base interactions energy: -37.174
where: short stacking energy: -34.044
Base-Backbone interact. energy: 1.484
local terms energy: -62.427964
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: 2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -342.683710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.683710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.683710 (E_RNA)
where:
Base-Base interactions energy: -227.583
where: short stacking energy: -110.792
Base-Backbone interact. energy: -0.016
local terms energy: -115.084530
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -24.763
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -31.247
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: 240
Temperature: 0.950000
Total energy: -336.730392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.730392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.730392 (E_RNA)
where:
Base-Base interactions energy: -213.554
where: short stacking energy: -94.815
Base-Backbone interact. energy: -0.738
local terms energy: -122.437843
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -34.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -343.338827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.338827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.338827 (E_RNA)
where:
Base-Base interactions energy: -236.740
where: short stacking energy: -100.226
Base-Backbone interact. energy: -0.269
local terms energy: -106.330143
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -15.689
tors. eta vs tors. theta energy: -30.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -279.062568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.062568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.062568 (E_RNA)
where:
Base-Base interactions energy: -186.175
where: short stacking energy: -89.525
Base-Backbone interact. energy: -0.049
local terms energy: -92.838672
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -24.092
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: 240
Temperature: 1.100000
Total energy: -266.287909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.287909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.287909 (E_RNA)
where:
Base-Base interactions energy: -164.835
where: short stacking energy: -93.736
Base-Backbone interact. energy: -0.615
local terms energy: -100.838497
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -23.671
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: 240
Temperature: 1.150000
Total energy: -164.449544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.449544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.449544 (E_RNA)
where:
Base-Base interactions energy: -81.646
where: short stacking energy: -46.798
Base-Backbone interact. energy: -0.455
local terms energy: -82.348442
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -25.759
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -7.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -260.294128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.294128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.294128 (E_RNA)
where:
Base-Base interactions energy: -170.510
where: short stacking energy: -75.022
Base-Backbone interact. energy: -0.171
local terms energy: -89.613526
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -21.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -119.962934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.962934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.962934 (E_RNA)
where:
Base-Base interactions energy: -45.700
where: short stacking energy: -43.670
Base-Backbone interact. energy: -0.959
local terms energy: -73.303039
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -109.372513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.372513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.372513 (E_RNA)
where:
Base-Base interactions energy: -43.322
where: short stacking energy: -38.930
Base-Backbone interact. energy: 0.034
local terms energy: -66.084117
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -14.307
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: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -98.473033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.473033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.473033 (E_RNA)
where:
Base-Base interactions energy: -35.344
where: short stacking energy: -32.027
Base-Backbone interact. energy: 1.189
local terms energy: -64.318077
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -345.053905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.053905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.053905 (E_RNA)
where:
Base-Base interactions energy: -233.339
where: short stacking energy: -106.545
Base-Backbone interact. energy: -0.169
local terms energy: -111.544931
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -25.451
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -32.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -344.121607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.121607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.121607 (E_RNA)
where:
Base-Base interactions energy: -234.968
where: short stacking energy: -106.145
Base-Backbone interact. energy: -0.295
local terms energy: -108.858253
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -33.064
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: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -327.769075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.769075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.769075 (E_RNA)
where:
Base-Base interactions energy: -216.404
where: short stacking energy: -102.241
Base-Backbone interact. energy: -0.629
local terms energy: -110.735359
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -24.870
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -32.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -311.937134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.937134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.937134 (E_RNA)
where:
Base-Base interactions energy: -209.268
where: short stacking energy: -89.150
Base-Backbone interact. energy: -0.574
local terms energy: -102.095270
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -28.338
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: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -259.311329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.311329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.311329 (E_RNA)
where:
Base-Base interactions energy: -167.653
where: short stacking energy: -80.122
Base-Backbone interact. energy: -0.480
local terms energy: -91.178661
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -17.234
tors. eta vs tors. theta energy: -22.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -259.464381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.464381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.464381 (E_RNA)
where:
Base-Base interactions energy: -166.329
where: short stacking energy: -82.400
Base-Backbone interact. energy: 2.236
local terms energy: -95.370686
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -24.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -174.554609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.554609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.554609 (E_RNA)
where:
Base-Base interactions energy: -88.907
where: short stacking energy: -56.269
Base-Backbone interact. energy: -1.230
local terms energy: -84.417794
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -101.464563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.464563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.464563 (E_RNA)
where:
Base-Base interactions energy: -39.255
where: short stacking energy: -39.255
Base-Backbone interact. energy: -0.242
local terms energy: -61.967770
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -6.201
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: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -100.990762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.990762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.990762 (E_RNA)
where:
Base-Base interactions energy: -33.255
where: short stacking energy: -27.021
Base-Backbone interact. energy: -0.322
local terms energy: -67.413546
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: 5.223
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: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -96.375823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.375823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.375823 (E_RNA)
where:
Base-Base interactions energy: -29.466
where: short stacking energy: -24.672
Base-Backbone interact. energy: -0.302
local terms energy: -66.608571
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -342.976926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.976926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.976926 (E_RNA)
where:
Base-Base interactions energy: -230.573
where: short stacking energy: -102.857
Base-Backbone interact. energy: -1.083
local terms energy: -111.320719
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -29.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -339.651470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.651470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.651470 (E_RNA)
where:
Base-Base interactions energy: -218.193
where: short stacking energy: -99.860
Base-Backbone interact. energy: -1.511
local terms energy: -119.947457
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -29.791
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: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -331.415804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.415804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.415804 (E_RNA)
where:
Base-Base interactions energy: -228.061
where: short stacking energy: -100.596
Base-Backbone interact. energy: -0.001
local terms energy: -103.353678
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -32.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -318.741834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.741834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.741834 (E_RNA)
where:
Base-Base interactions energy: -212.388
where: short stacking energy: -85.576
Base-Backbone interact. energy: 0.292
local terms energy: -106.645718
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -30.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -264.347036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.347036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.347036 (E_RNA)
where:
Base-Base interactions energy: -162.162
where: short stacking energy: -81.667
Base-Backbone interact. energy: -0.858
local terms energy: -101.326582
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -260.600482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.600482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.600482 (E_RNA)
where:
Base-Base interactions energy: -168.098
where: short stacking energy: -73.840
Base-Backbone interact. energy: -0.153
local terms energy: -92.349141
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -25.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -155.642458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.642458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.642458 (E_RNA)
where:
Base-Base interactions energy: -75.533
where: short stacking energy: -49.190
Base-Backbone interact. energy: -0.380
local terms energy: -79.729399
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -131.251436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.251436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.251436 (E_RNA)
where:
Base-Base interactions energy: -61.311
where: short stacking energy: -57.309
Base-Backbone interact. energy: -0.149
local terms energy: -69.791959
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -101.498685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.498685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.498685 (E_RNA)
where:
Base-Base interactions energy: -35.372
where: short stacking energy: -28.468
Base-Backbone interact. energy: 0.219
local terms energy: -66.345038
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -13.816
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: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -110.843066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.843066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.843066 (E_RNA)
where:
Base-Base interactions energy: -41.981
where: short stacking energy: -31.291
Base-Backbone interact. energy: 1.313
local terms energy: -70.175007
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: 2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -353.188002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.188002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.188002 (E_RNA)
where:
Base-Base interactions energy: -228.275
where: short stacking energy: -107.983
Base-Backbone interact. energy: -1.421
local terms energy: -123.491673
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -36.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -340.565378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.565378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.565378 (E_RNA)
where:
Base-Base interactions energy: -220.622
where: short stacking energy: -96.737
Base-Backbone interact. energy: -0.414
local terms energy: -119.529180
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -25.551
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -31.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -339.603149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.603149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.603149 (E_RNA)
where:
Base-Base interactions energy: -221.350
where: short stacking energy: -97.303
Base-Backbone interact. energy: -1.328
local terms energy: -116.924741
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -31.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -326.226541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.226541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.226541 (E_RNA)
where:
Base-Base interactions energy: -215.549
where: short stacking energy: -94.664
Base-Backbone interact. energy: -0.357
local terms energy: -110.321165
where:
bonds (distance) C4'-P energy: -25.211
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -32.338
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: 243
Temperature: 1.100000
Total energy: -259.973079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.973079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.973079 (E_RNA)
where:
Base-Base interactions energy: -164.933
where: short stacking energy: -81.456
Base-Backbone interact. energy: -0.102
local terms energy: -94.938394
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -255.577091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.577091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.577091 (E_RNA)
where:
Base-Base interactions energy: -162.878
where: short stacking energy: -86.978
Base-Backbone interact. energy: -0.930
local terms energy: -91.769452
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -23.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -182.054990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.054990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.054990 (E_RNA)
where:
Base-Base interactions energy: -102.317
where: short stacking energy: -60.764
Base-Backbone interact. energy: -0.131
local terms energy: -79.606734
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -109.688844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.688844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.688844 (E_RNA)
where:
Base-Base interactions energy: -50.348
where: short stacking energy: -41.013
Base-Backbone interact. energy: -0.177
local terms energy: -59.163899
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -107.260512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.260512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.260512 (E_RNA)
where:
Base-Base interactions energy: -34.983
where: short stacking energy: -36.392
Base-Backbone interact. energy: -0.160
local terms energy: -72.118068
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -93.314547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.314547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.314547 (E_RNA)
where:
Base-Base interactions energy: -26.328
where: short stacking energy: -18.065
Base-Backbone interact. energy: -0.312
local terms energy: -66.674576
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: 0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -344.810669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.810669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.810669 (E_RNA)
where:
Base-Base interactions energy: -227.172
where: short stacking energy: -95.772
Base-Backbone interact. energy: -1.871
local terms energy: -115.768197
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -35.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -343.624802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.624802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.624802 (E_RNA)
where:
Base-Base interactions energy: -234.866
where: short stacking energy: -108.519
Base-Backbone interact. energy: -1.066
local terms energy: -107.692687
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -33.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -338.112491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.112491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.112491 (E_RNA)
where:
Base-Base interactions energy: -221.293
where: short stacking energy: -103.878
Base-Backbone interact. energy: -1.226
local terms energy: -115.593911
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -34.633
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: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -314.266300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.266300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.266300 (E_RNA)
where:
Base-Base interactions energy: -210.957
where: short stacking energy: -95.284
Base-Backbone interact. energy: -0.321
local terms energy: -102.987982
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -32.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -261.558724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.558724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.558724 (E_RNA)
where:
Base-Base interactions energy: -168.221
where: short stacking energy: -77.017
Base-Backbone interact. energy: 2.074
local terms energy: -95.411656
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -19.523
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: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -258.417653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.417653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.417653 (E_RNA)
where:
Base-Base interactions energy: -160.367
where: short stacking energy: -83.506
Base-Backbone interact. energy: -0.223
local terms energy: -97.827751
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -168.527842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.527842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.527842 (E_RNA)
where:
Base-Base interactions energy: -94.982
where: short stacking energy: -57.412
Base-Backbone interact. energy: -0.247
local terms energy: -73.298973
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -12.775
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: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -147.418552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.418552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.418552 (E_RNA)
where:
Base-Base interactions energy: -71.058
where: short stacking energy: -45.650
Base-Backbone interact. energy: -0.132
local terms energy: -76.228273
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -5.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -95.086336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.086336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.086336 (E_RNA)
where:
Base-Base interactions energy: -39.891
where: short stacking energy: -26.911
Base-Backbone interact. energy: 1.160
local terms energy: -56.355718
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: 2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -99.022983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.022983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.022983 (E_RNA)
where:
Base-Base interactions energy: -33.889
where: short stacking energy: -33.247
Base-Backbone interact. energy: -0.881
local terms energy: -64.252201
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -8.397
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: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -345.248718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.248718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.248718 (E_RNA)
where:
Base-Base interactions energy: -233.604
where: short stacking energy: -102.427
Base-Backbone interact. energy: -3.632
local terms energy: -108.012263
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -31.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -339.095689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.095689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.095689 (E_RNA)
where:
Base-Base interactions energy: -228.868
where: short stacking energy: -100.320
Base-Backbone interact. energy: -1.776
local terms energy: -108.451342
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -22.742
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -34.773
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: 245
Temperature: 1.000000
Total energy: -327.278882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.278882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.278882 (E_RNA)
where:
Base-Base interactions energy: -225.721
where: short stacking energy: -108.165
Base-Backbone interact. energy: -0.176
local terms energy: -101.382191
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -22.733
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -31.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -308.419254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.419254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.419254 (E_RNA)
where:
Base-Base interactions energy: -198.807
where: short stacking energy: -102.878
Base-Backbone interact. energy: -0.099
local terms energy: -109.513273
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -31.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -249.031346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.031346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.031346 (E_RNA)
where:
Base-Base interactions energy: -151.890
where: short stacking energy: -71.586
Base-Backbone interact. energy: -0.088
local terms energy: -97.053020
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -238.233389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.233389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.233389 (E_RNA)
where:
Base-Base interactions energy: -143.052
where: short stacking energy: -74.038
Base-Backbone interact. energy: -0.129
local terms energy: -95.052414
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -19.957
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: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -149.221755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.221755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.221755 (E_RNA)
where:
Base-Base interactions energy: -79.299
where: short stacking energy: -45.708
Base-Backbone interact. energy: -1.279
local terms energy: -68.643311
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -109.133142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.133142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.133142 (E_RNA)
where:
Base-Base interactions energy: -41.910
where: short stacking energy: -32.094
Base-Backbone interact. energy: 1.134
local terms energy: -68.356870
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -127.767377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.767377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.767377 (E_RNA)
where:
Base-Base interactions energy: -68.383
where: short stacking energy: -49.811
Base-Backbone interact. energy: -0.204
local terms energy: -59.180551
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -6.608
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: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -105.410276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.410276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.410276 (E_RNA)
where:
Base-Base interactions energy: -41.182
where: short stacking energy: -38.907
Base-Backbone interact. energy: 0.052
local terms energy: -64.280248
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -345.072344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.072344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.072344 (E_RNA)
where:
Base-Base interactions energy: -238.287
where: short stacking energy: -109.880
Base-Backbone interact. energy: -0.818
local terms energy: -105.967849
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -23.799
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -32.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -337.229546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.229546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.229546 (E_RNA)
where:
Base-Base interactions energy: -227.322
where: short stacking energy: -102.038
Base-Backbone interact. energy: -0.038
local terms energy: -109.869638
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -30.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -332.817326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.817326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.817326 (E_RNA)
where:
Base-Base interactions energy: -224.578
where: short stacking energy: -91.914
Base-Backbone interact. energy: 0.405
local terms energy: -108.644458
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -27.177
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: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -299.306767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.306767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.306767 (E_RNA)
where:
Base-Base interactions energy: -189.910
where: short stacking energy: -93.678
Base-Backbone interact. energy: -1.056
local terms energy: -108.340277
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -29.100
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: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -299.013190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.013190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.013190 (E_RNA)
where:
Base-Base interactions energy: -191.072
where: short stacking energy: -90.033
Base-Backbone interact. energy: -0.438
local terms energy: -107.502932
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -27.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -258.757120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.757120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.757120 (E_RNA)
where:
Base-Base interactions energy: -167.641
where: short stacking energy: -85.975
Base-Backbone interact. energy: -1.023
local terms energy: -90.092292
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -21.428
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: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -125.866969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.866969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.866969 (E_RNA)
where:
Base-Base interactions energy: -43.638
where: short stacking energy: -43.638
Base-Backbone interact. energy: -0.068
local terms energy: -82.160623
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -17.967
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: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -115.854623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.854623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.854623 (E_RNA)
where:
Base-Base interactions energy: -38.929
where: short stacking energy: -37.648
Base-Backbone interact. energy: 1.648
local terms energy: -78.573709
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -112.451754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.451754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.451754 (E_RNA)
where:
Base-Base interactions energy: -36.126
where: short stacking energy: -35.715
Base-Backbone interact. energy: -0.176
local terms energy: -76.150177
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -103.806190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.806190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.806190 (E_RNA)
where:
Base-Base interactions energy: -31.945
where: short stacking energy: -31.945
Base-Backbone interact. energy: -0.010
local terms energy: -71.851268
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -344.381485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.381485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.381485 (E_RNA)
where:
Base-Base interactions energy: -232.955
where: short stacking energy: -91.870
Base-Backbone interact. energy: -0.019
local terms energy: -111.407660
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -26.299
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: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -342.625517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.625517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.625517 (E_RNA)
where:
Base-Base interactions energy: -230.832
where: short stacking energy: -104.826
Base-Backbone interact. energy: -0.312
local terms energy: -111.481627
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -23.064
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -32.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -329.743825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.743825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.743825 (E_RNA)
where:
Base-Base interactions energy: -216.554
where: short stacking energy: -101.136
Base-Backbone interact. energy: -1.063
local terms energy: -112.126824
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -29.251
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: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -294.721625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.721625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.721625 (E_RNA)
where:
Base-Base interactions energy: -192.718
where: short stacking energy: -87.695
Base-Backbone interact. energy: -0.154
local terms energy: -101.849466
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -26.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -264.258827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.258827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.258827 (E_RNA)
where:
Base-Base interactions energy: -170.895
where: short stacking energy: -83.559
Base-Backbone interact. energy: -0.045
local terms energy: -93.319252
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -20.427
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -254.807536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.807536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.807536 (E_RNA)
where:
Base-Base interactions energy: -162.041
where: short stacking energy: -76.717
Base-Backbone interact. energy: 1.566
local terms energy: -94.332987
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -14.677
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: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -130.721406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.721406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.721406 (E_RNA)
where:
Base-Base interactions energy: -64.504
where: short stacking energy: -41.189
Base-Backbone interact. energy: -0.397
local terms energy: -65.820333
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -123.025622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.025622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.025622 (E_RNA)
where:
Base-Base interactions energy: -66.145
where: short stacking energy: -51.137
Base-Backbone interact. energy: 1.629
local terms energy: -58.509591
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -133.423422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.423422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.423422 (E_RNA)
where:
Base-Base interactions energy: -51.403
where: short stacking energy: -51.403
Base-Backbone interact. energy: -0.565
local terms energy: -81.455606
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -7.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -104.008947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.008947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.008947 (E_RNA)
where:
Base-Base interactions energy: -44.506
where: short stacking energy: -44.506
Base-Backbone interact. energy: -0.157
local terms energy: -59.345277
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -346.037948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.037948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.037948 (E_RNA)
where:
Base-Base interactions energy: -236.539
where: short stacking energy: -104.071
Base-Backbone interact. energy: 0.324
local terms energy: -109.822626
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -18.676
tors. eta vs tors. theta energy: -32.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -340.893811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.893811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.893811 (E_RNA)
where:
Base-Base interactions energy: -225.743
where: short stacking energy: -101.697
Base-Backbone interact. energy: -0.057
local terms energy: -115.094241
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -24.593
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -27.808
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: 248
Temperature: 1.000000
Total energy: -334.683167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.683167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.683167 (E_RNA)
where:
Base-Base interactions energy: -224.060
where: short stacking energy: -92.786
Base-Backbone interact. energy: -0.550
local terms energy: -110.073269
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -30.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -287.588312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.588312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.588312 (E_RNA)
where:
Base-Base interactions energy: -189.467
where: short stacking energy: -79.909
Base-Backbone interact. energy: -0.169
local terms energy: -97.953050
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -25.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -262.479066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.479066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.479066 (E_RNA)
where:
Base-Base interactions energy: -167.130
where: short stacking energy: -77.334
Base-Backbone interact. energy: -1.280
local terms energy: -94.068924
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -20.525
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: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -254.273738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.273738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.273738 (E_RNA)
where:
Base-Base interactions energy: -171.793
where: short stacking energy: -84.062
Base-Backbone interact. energy: -0.183
local terms energy: -82.298032
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -9.145
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -124.886237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.886237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.886237 (E_RNA)
where:
Base-Base interactions energy: -47.525
where: short stacking energy: -40.667
Base-Backbone interact. energy: -0.279
local terms energy: -77.082891
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -108.534564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.534564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.534564 (E_RNA)
where:
Base-Base interactions energy: -44.278
where: short stacking energy: -44.278
Base-Backbone interact. energy: -0.159
local terms energy: -64.098159
where:
bonds (distance) C4'-P energy: -7.421
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -112.716877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.716877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.716877 (E_RNA)
where:
Base-Base interactions energy: -46.354
where: short stacking energy: -34.621
Base-Backbone interact. energy: 0.086
local terms energy: -66.448110
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -97.683561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.683561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.683561 (E_RNA)
where:
Base-Base interactions energy: -30.948
where: short stacking energy: -29.285
Base-Backbone interact. energy: -1.750
local terms energy: -64.985095
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: 1.042
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: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -351.179424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.179424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.179424 (E_RNA)
where:
Base-Base interactions energy: -231.207
where: short stacking energy: -107.408
Base-Backbone interact. energy: -3.263
local terms energy: -116.709157
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -32.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -339.003612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.003612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.003612 (E_RNA)
where:
Base-Base interactions energy: -228.510
where: short stacking energy: -97.060
Base-Backbone interact. energy: -0.058
local terms energy: -110.435758
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -32.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -324.943787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.943787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.943787 (E_RNA)
where:
Base-Base interactions energy: -226.243
where: short stacking energy: -102.130
Base-Backbone interact. energy: -0.281
local terms energy: -98.420079
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -22.931
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -34.236
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: 4, replica: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -281.169953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.169953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.169953 (E_RNA)
where:
Base-Base interactions energy: -184.368
where: short stacking energy: -83.245
Base-Backbone interact. energy: -0.121
local terms energy: -96.680610
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -21.832
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -26.563
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: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -274.441378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.441378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.441378 (E_RNA)
where:
Base-Base interactions energy: -179.060
where: short stacking energy: -80.948
Base-Backbone interact. energy: -1.587
local terms energy: -93.794956
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -25.548
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: 249
Temperature: 1.150000
Total energy: -274.542940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.542940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.542940 (E_RNA)
where:
Base-Base interactions energy: -178.369
where: short stacking energy: -72.534
Base-Backbone interact. energy: -1.026
local terms energy: -95.147590
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -20.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -117.675851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.675851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.675851 (E_RNA)
where:
Base-Base interactions energy: -38.134
where: short stacking energy: -36.119
Base-Backbone interact. energy: -0.583
local terms energy: -78.958928
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -8.814
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: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -111.355605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.355605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.355605 (E_RNA)
where:
Base-Base interactions energy: -48.904
where: short stacking energy: -48.904
Base-Backbone interact. energy: -0.185
local terms energy: -62.266216
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -7.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -107.275982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.275982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.275982 (E_RNA)
where:
Base-Base interactions energy: -47.899
where: short stacking energy: -43.655
Base-Backbone interact. energy: -2.070
local terms energy: -57.307527
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -121.046427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.046427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.046427 (E_RNA)
where:
Base-Base interactions energy: -40.358
where: short stacking energy: -40.358
Base-Backbone interact. energy: 1.050
local terms energy: -81.738437
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -345.230270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.230270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.230270 (E_RNA)
where:
Base-Base interactions energy: -235.544
where: short stacking energy: -104.380
Base-Backbone interact. energy: -0.305
local terms energy: -109.380666
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -32.249
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: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -342.792554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.792554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.792554 (E_RNA)
where:
Base-Base interactions energy: -224.401
where: short stacking energy: -103.896
Base-Backbone interact. energy: -0.788
local terms energy: -117.603224
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -25.221
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -32.641
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: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -337.169138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.169138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.169138 (E_RNA)
where:
Base-Base interactions energy: -224.678
where: short stacking energy: -101.878
Base-Backbone interact. energy: -0.418
local terms energy: -112.073804
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -32.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -278.123144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.123144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.123144 (E_RNA)
where:
Base-Base interactions energy: -178.863
where: short stacking energy: -86.265
Base-Backbone interact. energy: -1.014
local terms energy: -98.245851
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -27.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -270.481736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.481736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.481736 (E_RNA)
where:
Base-Base interactions energy: -176.382
where: short stacking energy: -81.026
Base-Backbone interact. energy: 0.194
local terms energy: -94.293263
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -21.868
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: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -227.498734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.498734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.498734 (E_RNA)
where:
Base-Base interactions energy: -133.655
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.634
local terms energy: -93.208940
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -122.389380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.389380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.389380 (E_RNA)
where:
Base-Base interactions energy: -52.426
where: short stacking energy: -48.874
Base-Backbone interact. energy: -0.023
local terms energy: -69.940819
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -113.662282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.662282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.662282 (E_RNA)
where:
Base-Base interactions energy: -42.236
where: short stacking energy: -37.419
Base-Backbone interact. energy: -0.144
local terms energy: -71.282424
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -8.534
flat angles P-C4'-P energy: -13.879
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: 9, replica: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -112.283119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.283119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.283119 (E_RNA)
where:
Base-Base interactions energy: -45.605
where: short stacking energy: -27.479
Base-Backbone interact. energy: 0.469
local terms energy: -67.146741
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -2.003
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: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -103.343027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.343027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.343027 (E_RNA)
where:
Base-Base interactions energy: -35.420
where: short stacking energy: -35.720
Base-Backbone interact. energy: -0.099
local terms energy: -67.824362
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -6.238
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: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -350.714578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.714578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.714578 (E_RNA)
where:
Base-Base interactions energy: -232.778
where: short stacking energy: -102.357
Base-Backbone interact. energy: -0.830
local terms energy: -117.106761
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -35.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -344.742299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.742299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.742299 (E_RNA)
where:
Base-Base interactions energy: -228.231
where: short stacking energy: -100.289
Base-Backbone interact. energy: -1.522
local terms energy: -114.988832
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -32.960
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: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -332.164368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.164368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.164368 (E_RNA)
where:
Base-Base interactions energy: -223.161
where: short stacking energy: -104.867
Base-Backbone interact. energy: -0.086
local terms energy: -108.917557
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -30.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -271.752955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.752955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.752955 (E_RNA)
where:
Base-Base interactions energy: -169.119
where: short stacking energy: -87.215
Base-Backbone interact. energy: -1.199
local terms energy: -101.435289
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -28.488
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: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -260.243121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.243121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.243121 (E_RNA)
where:
Base-Base interactions energy: -167.338
where: short stacking energy: -85.569
Base-Backbone interact. energy: -0.145
local terms energy: -92.760229
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -21.335
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: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -216.832144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.832144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.832144 (E_RNA)
where:
Base-Base interactions energy: -136.258
where: short stacking energy: -60.256
Base-Backbone interact. energy: -1.111
local terms energy: -79.462777
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -125.766956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.766956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.766956 (E_RNA)
where:
Base-Base interactions energy: -42.676
where: short stacking energy: -39.487
Base-Backbone interact. energy: -0.754
local terms energy: -82.336825
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -10.748
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: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -121.131101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.131101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.131101 (E_RNA)
where:
Base-Base interactions energy: -37.679
where: short stacking energy: -37.679
Base-Backbone interact. energy: 0.819
local terms energy: -84.271579
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -7.687
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: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -115.351130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.351130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.351130 (E_RNA)
where:
Base-Base interactions energy: -41.306
where: short stacking energy: -41.306
Base-Backbone interact. energy: -0.200
local terms energy: -73.845051
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -6.083
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: 251
Temperature: 1.350000
Total energy: -103.494901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.494901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.494901 (E_RNA)
where:
Base-Base interactions energy: -31.730
where: short stacking energy: -30.478
Base-Backbone interact. energy: -0.184
local terms energy: -71.580587
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -352.110310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.110310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.110310 (E_RNA)
where:
Base-Base interactions energy: -231.157
where: short stacking energy: -96.817
Base-Backbone interact. energy: -0.978
local terms energy: -119.975418
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -33.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -343.533136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.533136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.533136 (E_RNA)
where:
Base-Base interactions energy: -229.493
where: short stacking energy: -99.766
Base-Backbone interact. energy: -0.284
local terms energy: -113.756236
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -32.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -323.092595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.092595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.092595 (E_RNA)
where:
Base-Base interactions energy: -218.502
where: short stacking energy: -97.194
Base-Backbone interact. energy: -0.829
local terms energy: -103.761688
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -30.057
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: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -288.553286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.553286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.553286 (E_RNA)
where:
Base-Base interactions energy: -186.880
where: short stacking energy: -98.128
Base-Backbone interact. energy: -0.293
local terms energy: -101.379468
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -29.556
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: 252
Temperature: 1.100000
Total energy: -271.357006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.357006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.357006 (E_RNA)
where:
Base-Base interactions energy: -184.105
where: short stacking energy: -84.014
Base-Backbone interact. energy: -0.660
local terms energy: -86.591433
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -25.036
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: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -255.925990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.925990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.925990 (E_RNA)
where:
Base-Base interactions energy: -165.203
where: short stacking energy: -76.092
Base-Backbone interact. energy: -0.759
local terms energy: -89.963733
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -123.760423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.760423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.760423 (E_RNA)
where:
Base-Base interactions energy: -52.072
where: short stacking energy: -51.255
Base-Backbone interact. energy: 0.231
local terms energy: -71.919078
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -166.854458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.854458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.854458 (E_RNA)
where:
Base-Base interactions energy: -88.687
where: short stacking energy: -46.955
Base-Backbone interact. energy: -0.200
local terms energy: -77.967249
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -107.866371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.866371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.866371 (E_RNA)
where:
Base-Base interactions energy: -44.285
where: short stacking energy: -43.376
Base-Backbone interact. energy: 0.496
local terms energy: -64.077069
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -111.518188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.518188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.518188 (E_RNA)
where:
Base-Base interactions energy: -42.341
where: short stacking energy: -36.277
Base-Backbone interact. energy: -0.046
local terms energy: -69.131577
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -342.489320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.489320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.489320 (E_RNA)
where:
Base-Base interactions energy: -232.078
where: short stacking energy: -98.355
Base-Backbone interact. energy: -1.755
local terms energy: -108.656968
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -32.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -337.860768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.860768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.860768 (E_RNA)
where:
Base-Base interactions energy: -231.237
where: short stacking energy: -104.156
Base-Backbone interact. energy: -0.001
local terms energy: -106.623495
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -33.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -337.681176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.681176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.681176 (E_RNA)
where:
Base-Base interactions energy: -224.559
where: short stacking energy: -104.957
Base-Backbone interact. energy: -0.009
local terms energy: -113.113745
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -32.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -262.591929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.591929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.591929 (E_RNA)
where:
Base-Base interactions energy: -175.198
where: short stacking energy: -75.036
Base-Backbone interact. energy: -0.238
local terms energy: -87.156492
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -266.243200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.243200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.243200 (E_RNA)
where:
Base-Base interactions energy: -170.950
where: short stacking energy: -90.555
Base-Backbone interact. energy: -0.417
local terms energy: -94.876357
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -26.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -229.654360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.654360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.654360 (E_RNA)
where:
Base-Base interactions energy: -145.747
where: short stacking energy: -66.825
Base-Backbone interact. energy: -0.667
local terms energy: -83.239617
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -115.569463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.569463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.569463 (E_RNA)
where:
Base-Base interactions energy: -50.078
where: short stacking energy: -46.226
Base-Backbone interact. energy: -0.184
local terms energy: -65.307305
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -189.297787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.297787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.297787 (E_RNA)
where:
Base-Base interactions energy: -103.567
where: short stacking energy: -57.672
Base-Backbone interact. energy: -1.066
local terms energy: -84.665401
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -12.610
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: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -103.660612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.660612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.660612 (E_RNA)
where:
Base-Base interactions energy: -53.464
where: short stacking energy: -28.360
Base-Backbone interact. energy: -0.527
local terms energy: -49.669982
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -21.227
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: 6.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -106.443939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.443939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.443939 (E_RNA)
where:
Base-Base interactions energy: -47.081
where: short stacking energy: -33.462
Base-Backbone interact. energy: 1.492
local terms energy: -60.854935
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -348.656316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.656316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.656316 (E_RNA)
where:
Base-Base interactions energy: -238.602
where: short stacking energy: -105.517
Base-Backbone interact. energy: -0.869
local terms energy: -109.185021
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -32.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -338.973522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.973522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.973522 (E_RNA)
where:
Base-Base interactions energy: -230.594
where: short stacking energy: -100.714
Base-Backbone interact. energy: -1.110
local terms energy: -107.269419
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -34.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -331.870873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.870873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.870873 (E_RNA)
where:
Base-Base interactions energy: -219.512
where: short stacking energy: -91.804
Base-Backbone interact. energy: -0.283
local terms energy: -112.076467
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -19.134
tors. eta vs tors. theta energy: -29.210
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: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -283.144951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.144951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.144951 (E_RNA)
where:
Base-Base interactions energy: -187.726
where: short stacking energy: -81.089
Base-Backbone interact. energy: -1.396
local terms energy: -94.023577
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -268.951633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.951633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.951633 (E_RNA)
where:
Base-Base interactions energy: -168.532
where: short stacking energy: -86.447
Base-Backbone interact. energy: -0.081
local terms energy: -100.338870
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -28.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -294.858848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.858848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.858848 (E_RNA)
where:
Base-Base interactions energy: -195.832
where: short stacking energy: -96.951
Base-Backbone interact. energy: -0.638
local terms energy: -98.388908
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -26.668
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: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -193.736855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.736855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.736855 (E_RNA)
where:
Base-Base interactions energy: -115.310
where: short stacking energy: -68.191
Base-Backbone interact. energy: -0.041
local terms energy: -78.385990
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -14.980
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: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -111.902483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.902483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.902483 (E_RNA)
where:
Base-Base interactions energy: -42.331
where: short stacking energy: -42.331
Base-Backbone interact. energy: -0.878
local terms energy: -68.694298
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -12.499
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: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -110.012246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.012246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.012246 (E_RNA)
where:
Base-Base interactions energy: -47.084
where: short stacking energy: -37.542
Base-Backbone interact. energy: -0.068
local terms energy: -62.859799
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -118.287479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.287479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.287479 (E_RNA)
where:
Base-Base interactions energy: -51.800
where: short stacking energy: -32.066
Base-Backbone interact. energy: -0.104
local terms energy: -66.383562
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -347.260488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.260488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.260488 (E_RNA)
where:
Base-Base interactions energy: -233.980
where: short stacking energy: -104.857
Base-Backbone interact. energy: -0.307
local terms energy: -112.973008
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -24.743
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -33.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -341.756476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.756476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.756476 (E_RNA)
where:
Base-Base interactions energy: -233.468
where: short stacking energy: -104.527
Base-Backbone interact. energy: -1.428
local terms energy: -106.860565
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -33.940
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: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -331.431330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.431330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.431330 (E_RNA)
where:
Base-Base interactions energy: -221.876
where: short stacking energy: -101.336
Base-Backbone interact. energy: 0.435
local terms energy: -109.989875
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -32.209
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: 255
Temperature: 1.050000
Total energy: -278.253750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.253750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.253750 (E_RNA)
where:
Base-Base interactions energy: -180.267
where: short stacking energy: -89.591
Base-Backbone interact. energy: -0.139
local terms energy: -97.847364
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -276.786705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.786705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.786705 (E_RNA)
where:
Base-Base interactions energy: -182.178
where: short stacking energy: -90.237
Base-Backbone interact. energy: -0.015
local terms energy: -94.594426
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -26.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -304.816237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.816237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.816237 (E_RNA)
where:
Base-Base interactions energy: -201.342
where: short stacking energy: -86.857
Base-Backbone interact. energy: -0.044
local terms energy: -103.430026
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -25.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -187.139487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.139487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.139487 (E_RNA)
where:
Base-Base interactions energy: -106.299
where: short stacking energy: -49.765
Base-Backbone interact. energy: -0.542
local terms energy: -80.298085
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -10.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -114.679808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.679808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.679808 (E_RNA)
where:
Base-Base interactions energy: -44.490
where: short stacking energy: -43.640
Base-Backbone interact. energy: -0.004
local terms energy: -70.186237
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -100.153284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.153284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.153284 (E_RNA)
where:
Base-Base interactions energy: -42.844
where: short stacking energy: -33.020
Base-Backbone interact. energy: -0.843
local terms energy: -56.466835
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -120.722811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.722811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.722811 (E_RNA)
where:
Base-Base interactions energy: -47.152
where: short stacking energy: -33.330
Base-Backbone interact. energy: 0.059
local terms energy: -73.629067
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -14.057
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: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -345.709568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.709568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.709568 (E_RNA)
where:
Base-Base interactions energy: -232.266
where: short stacking energy: -105.080
Base-Backbone interact. energy: -1.148
local terms energy: -112.294881
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -32.193
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: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -337.287750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.287750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.287750 (E_RNA)
where:
Base-Base interactions energy: -227.808
where: short stacking energy: -105.575
Base-Backbone interact. energy: -0.017
local terms energy: -109.462108
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -31.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -331.891678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.891678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.891678 (E_RNA)
where:
Base-Base interactions energy: -219.411
where: short stacking energy: -91.469
Base-Backbone interact. energy: -1.327
local terms energy: -111.154312
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -23.371
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -30.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -265.762063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.762063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.762063 (E_RNA)
where:
Base-Base interactions energy: -168.119
where: short stacking energy: -80.823
Base-Backbone interact. energy: 0.236
local terms energy: -97.878942
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -20.332
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: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -318.111449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.111449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.111449 (E_RNA)
where:
Base-Base interactions energy: -217.623
where: short stacking energy: -96.242
Base-Backbone interact. energy: -0.226
local terms energy: -100.262600
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -29.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -261.941903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.941903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.941903 (E_RNA)
where:
Base-Base interactions energy: -173.757
where: short stacking energy: -81.631
Base-Backbone interact. energy: 2.078
local terms energy: -90.263516
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: -21.594
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: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -167.100580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.100580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.100580 (E_RNA)
where:
Base-Base interactions energy: -94.586
where: short stacking energy: -55.842
Base-Backbone interact. energy: -0.996
local terms energy: -71.518289
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -10.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -118.505113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.505113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.505113 (E_RNA)
where:
Base-Base interactions energy: -48.623
where: short stacking energy: -48.623
Base-Backbone interact. energy: -0.085
local terms energy: -69.796789
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -8.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -106.132995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.132995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.132995 (E_RNA)
where:
Base-Base interactions energy: -41.332
where: short stacking energy: -41.332
Base-Backbone interact. energy: -0.703
local terms energy: -64.098437
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -8.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -102.072380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.072380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.072380 (E_RNA)
where:
Base-Base interactions energy: -35.003
where: short stacking energy: -25.848
Base-Backbone interact. energy: 0.503
local terms energy: -67.571672
where:
bonds (distance) C4'-P energy: -21.140
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -344.116094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.116094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.116094 (E_RNA)
where:
Base-Base interactions energy: -230.477
where: short stacking energy: -100.312
Base-Backbone interact. energy: -0.171
local terms energy: -113.468376
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -29.212
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: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -345.201197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.201197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.201197 (E_RNA)
where:
Base-Base interactions energy: -226.070
where: short stacking energy: -99.882
Base-Backbone interact. energy: -0.651
local terms energy: -118.480204
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -20.972
tors. eta vs tors. theta energy: -33.848
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: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -332.430388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.430388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.430388 (E_RNA)
where:
Base-Base interactions energy: -220.021
where: short stacking energy: -94.337
Base-Backbone interact. energy: -2.352
local terms energy: -110.057554
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -30.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -324.362506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.362506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.362506 (E_RNA)
where:
Base-Base interactions energy: -215.455
where: short stacking energy: -94.525
Base-Backbone interact. energy: -0.707
local terms energy: -108.201088
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -27.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -277.143786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.143786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.143786 (E_RNA)
where:
Base-Base interactions energy: -178.821
where: short stacking energy: -88.901
Base-Backbone interact. energy: -0.313
local terms energy: -98.009755
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -26.136
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: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -267.283222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.283222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.283222 (E_RNA)
where:
Base-Base interactions energy: -163.272
where: short stacking energy: -75.215
Base-Backbone interact. energy: -0.184
local terms energy: -103.827525
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -22.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -162.526343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.526343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.526343 (E_RNA)
where:
Base-Base interactions energy: -98.146
where: short stacking energy: -53.525
Base-Backbone interact. energy: 0.364
local terms energy: -64.744344
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -8.331
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: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -118.958517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.958517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.958517 (E_RNA)
where:
Base-Base interactions energy: -54.766
where: short stacking energy: -54.766
Base-Backbone interact. energy: -1.544
local terms energy: -62.648758
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -16.339
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: 9, replica: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -126.314103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.314103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.314103 (E_RNA)
where:
Base-Base interactions energy: -50.920
where: short stacking energy: -43.824
Base-Backbone interact. energy: -0.632
local terms energy: -74.761865
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -104.845404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.845404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.845404 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -25.699
Base-Backbone interact. energy: -1.303
local terms energy: -69.969943
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -347.583842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.583842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.583842 (E_RNA)
where:
Base-Base interactions energy: -232.255
where: short stacking energy: -97.940
Base-Backbone interact. energy: -1.536
local terms energy: -113.793588
where:
bonds (distance) C4'-P energy: -24.005
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -30.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -333.890043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.890043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.890043 (E_RNA)
where:
Base-Base interactions energy: -227.535
where: short stacking energy: -91.156
Base-Backbone interact. energy: -0.930
local terms energy: -105.425552
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -27.686
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: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -340.639475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.639475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.639475 (E_RNA)
where:
Base-Base interactions energy: -227.267
where: short stacking energy: -106.045
Base-Backbone interact. energy: -0.348
local terms energy: -113.024580
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -18.171
tors. eta vs tors. theta energy: -31.368
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: 1
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -332.911479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.911479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.911479 (E_RNA)
where:
Base-Base interactions energy: -221.925
where: short stacking energy: -98.930
Base-Backbone interact. energy: -0.269
local terms energy: -110.718011
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -28.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -273.995227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.995227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.995227 (E_RNA)
where:
Base-Base interactions energy: -176.723
where: short stacking energy: -90.258
Base-Backbone interact. energy: -0.277
local terms energy: -96.995795
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -27.407
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: 258
Temperature: 1.150000
Total energy: -255.473661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.473661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.473661 (E_RNA)
where:
Base-Base interactions energy: -168.040
where: short stacking energy: -80.622
Base-Backbone interact. energy: -0.585
local terms energy: -86.848745
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -22.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -155.493195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.493195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.493195 (E_RNA)
where:
Base-Base interactions energy: -83.698
where: short stacking energy: -40.657
Base-Backbone interact. energy: -0.332
local terms energy: -71.463084
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -102.680629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.680629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.680629 (E_RNA)
where:
Base-Base interactions energy: -41.002
where: short stacking energy: -37.201
Base-Backbone interact. energy: -1.296
local terms energy: -60.382948
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -114.842357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.842357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.842357 (E_RNA)
where:
Base-Base interactions energy: -50.203
where: short stacking energy: -39.757
Base-Backbone interact. energy: -0.413
local terms energy: -64.226458
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -5.618
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: 10, replica: 2
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -101.434926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.434926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.434926 (E_RNA)
where:
Base-Base interactions energy: -28.136
where: short stacking energy: -27.085
Base-Backbone interact. energy: -0.674
local terms energy: -72.625336
where:
bonds (distance) C4'-P energy: -20.206
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -13.082
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: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -344.539136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.539136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.539136 (E_RNA)
where:
Base-Base interactions energy: -227.598
where: short stacking energy: -98.105
Base-Backbone interact. energy: -1.324
local terms energy: -115.616569
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -29.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -347.356562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.356562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.356562 (E_RNA)
where:
Base-Base interactions energy: -238.687
where: short stacking energy: -102.605
Base-Backbone interact. energy: -0.017
local terms energy: -108.653064
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -27.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -328.330751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.330751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.330751 (E_RNA)
where:
Base-Base interactions energy: -221.650
where: short stacking energy: -99.681
Base-Backbone interact. energy: -0.019
local terms energy: -106.661650
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -31.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -321.128619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.128619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.128619 (E_RNA)
where:
Base-Base interactions energy: -212.191
where: short stacking energy: -91.286
Base-Backbone interact. energy: -0.504
local terms energy: -108.434272
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -16.710
tors. eta vs tors. theta energy: -31.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -262.678246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.678246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.678246 (E_RNA)
where:
Base-Base interactions energy: -166.075
where: short stacking energy: -83.762
Base-Backbone interact. energy: -0.303
local terms energy: -96.300335
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -22.353
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -261.534154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.534154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.534154 (E_RNA)
where:
Base-Base interactions energy: -164.239
where: short stacking energy: -85.114
Base-Backbone interact. energy: -0.843
local terms energy: -96.452885
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -23.726
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: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -200.886321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.886321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.886321 (E_RNA)
where:
Base-Base interactions energy: -125.148
where: short stacking energy: -67.092
Base-Backbone interact. energy: -0.315
local terms energy: -75.424178
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -12.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -108.781199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.781199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.781199 (E_RNA)
where:
Base-Base interactions energy: -34.294
where: short stacking energy: -34.294
Base-Backbone interact. energy: -0.318
local terms energy: -74.169187
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -23.996
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -7.875
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: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -108.806162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.806162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.806162 (E_RNA)
where:
Base-Base interactions energy: -45.313
where: short stacking energy: -39.024
Base-Backbone interact. energy: -0.292
local terms energy: -63.200819
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -9.145
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: 10, replica: 2
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -103.623736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.623736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.623736 (E_RNA)
where:
Base-Base interactions energy: -39.233
where: short stacking energy: -33.688
Base-Backbone interact. energy: 0.741
local terms energy: -65.131621
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -15.894
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: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -344.521681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.521681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.521681 (E_RNA)
where:
Base-Base interactions energy: -227.875
where: short stacking energy: -104.116
Base-Backbone interact. energy: -2.022
local terms energy: -114.625297
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -33.307
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: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -339.052650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.052650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.052650 (E_RNA)
where:
Base-Base interactions energy: -225.100
where: short stacking energy: -100.436
Base-Backbone interact. energy: -1.817
local terms energy: -112.135652
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: -33.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -332.829038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.829038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.829038 (E_RNA)
where:
Base-Base interactions energy: -221.325
where: short stacking energy: -104.210
Base-Backbone interact. energy: -0.419
local terms energy: -111.085569
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -32.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -322.336210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.336210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.336210 (E_RNA)
where:
Base-Base interactions energy: -218.233
where: short stacking energy: -95.251
Base-Backbone interact. energy: -1.513
local terms energy: -102.590509
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -29.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -252.001390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.001390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.001390 (E_RNA)
where:
Base-Base interactions energy: -153.092
where: short stacking energy: -72.216
Base-Backbone interact. energy: -0.842
local terms energy: -98.066517
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -248.616086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.616086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.616086 (E_RNA)
where:
Base-Base interactions energy: -157.297
where: short stacking energy: -82.736
Base-Backbone interact. energy: 0.323
local terms energy: -91.642109
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -22.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -173.190183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.190183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.190183 (E_RNA)
where:
Base-Base interactions energy: -102.605
where: short stacking energy: -58.401
Base-Backbone interact. energy: -0.174
local terms energy: -70.411182
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -112.136021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.136021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.136021 (E_RNA)
where:
Base-Base interactions energy: -36.527
where: short stacking energy: -32.361
Base-Backbone interact. energy: -0.150
local terms energy: -75.459814
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -107.085253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.085253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.085253 (E_RNA)
where:
Base-Base interactions energy: -43.118
where: short stacking energy: -40.711
Base-Backbone interact. energy: 2.100
local terms energy: -66.066491
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -110.502923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.502923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.502923 (E_RNA)
where:
Base-Base interactions energy: -41.112
where: short stacking energy: -29.498
Base-Backbone interact. energy: -0.793
local terms energy: -68.598114
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -22.988
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: 0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -352.926314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.926314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.926314 (E_RNA)
where:
Base-Base interactions energy: -232.769
where: short stacking energy: -102.166
Base-Backbone interact. energy: -1.542
local terms energy: -118.615547
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -33.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -337.556082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.556082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.556082 (E_RNA)
where:
Base-Base interactions energy: -227.505
where: short stacking energy: -97.927
Base-Backbone interact. energy: -0.028
local terms energy: -110.023033
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -31.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -330.625139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.625139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.625139 (E_RNA)
where:
Base-Base interactions energy: -221.981
where: short stacking energy: -100.982
Base-Backbone interact. energy: -0.753
local terms energy: -107.891409
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -31.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -324.560351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.560351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.560351 (E_RNA)
where:
Base-Base interactions energy: -215.890
where: short stacking energy: -85.377
Base-Backbone interact. energy: -0.769
local terms energy: -107.901735
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -28.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -256.951251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.951251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.951251 (E_RNA)
where:
Base-Base interactions energy: -165.556
where: short stacking energy: -72.571
Base-Backbone interact. energy: -0.493
local terms energy: -90.901973
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -259.012830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.012830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.012830 (E_RNA)
where:
Base-Base interactions energy: -155.381
where: short stacking energy: -84.957
Base-Backbone interact. energy: -1.072
local terms energy: -102.559349
where:
bonds (distance) C4'-P energy: -22.734
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -24.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -149.359945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.359945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.359945 (E_RNA)
where:
Base-Base interactions energy: -80.960
where: short stacking energy: -47.936
Base-Backbone interact. energy: -0.139
local terms energy: -68.260502
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: -3.861
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: 8, replica: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -126.352186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.352186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.352186 (E_RNA)
where:
Base-Base interactions energy: -61.485
where: short stacking energy: -31.916
Base-Backbone interact. energy: -0.458
local terms energy: -64.408661
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -7.940
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: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -97.488429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.488429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.488429 (E_RNA)
where:
Base-Base interactions energy: -34.962
where: short stacking energy: -32.485
Base-Backbone interact. energy: 0.661
local terms energy: -63.187003
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -94.519629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.519629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.519629 (E_RNA)
where:
Base-Base interactions energy: -29.332
where: short stacking energy: -27.183
Base-Backbone interact. energy: -0.163
local terms energy: -65.024974
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: 5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -350.337143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.337143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.337143 (E_RNA)
where:
Base-Base interactions energy: -235.595
where: short stacking energy: -97.078
Base-Backbone interact. energy: -1.978
local terms energy: -112.764103
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -26.200
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -34.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -339.406464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.406464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.406464 (E_RNA)
where:
Base-Base interactions energy: -228.429
where: short stacking energy: -99.117
Base-Backbone interact. energy: -0.945
local terms energy: -110.033132
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -35.065
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: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -333.338970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.338970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.338970 (E_RNA)
where:
Base-Base interactions energy: -225.749
where: short stacking energy: -95.723
Base-Backbone interact. energy: -2.205
local terms energy: -105.384507
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -21.363
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -29.833
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: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -327.246979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.246979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.246979 (E_RNA)
where:
Base-Base interactions energy: -227.175
where: short stacking energy: -94.994
Base-Backbone interact. energy: -0.357
local terms energy: -99.715089
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -27.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -259.215046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.215046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.215046 (E_RNA)
where:
Base-Base interactions energy: -162.986
where: short stacking energy: -77.405
Base-Backbone interact. energy: -0.846
local terms energy: -95.382586
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -21.660
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -17.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -257.961793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.961793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.961793 (E_RNA)
where:
Base-Base interactions energy: -164.281
where: short stacking energy: -82.964
Base-Backbone interact. energy: -0.572
local terms energy: -93.109093
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -24.601
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: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -169.421588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.421588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.421588 (E_RNA)
where:
Base-Base interactions energy: -82.016
where: short stacking energy: -48.477
Base-Backbone interact. energy: -0.291
local terms energy: -87.114168
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -25.904
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -9.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -160.527002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.527002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.527002 (E_RNA)
where:
Base-Base interactions energy: -93.178
where: short stacking energy: -64.420
Base-Backbone interact. energy: 0.623
local terms energy: -67.971576
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -12.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -119.016761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.016761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.016761 (E_RNA)
where:
Base-Base interactions energy: -50.228
where: short stacking energy: -37.841
Base-Backbone interact. energy: -1.781
local terms energy: -67.007677
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -100.509499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.509499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.509499 (E_RNA)
where:
Base-Base interactions energy: -37.211
where: short stacking energy: -29.048
Base-Backbone interact. energy: -0.168
local terms energy: -63.130140
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -345.920506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.920506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.920506 (E_RNA)
where:
Base-Base interactions energy: -228.362
where: short stacking energy: -104.403
Base-Backbone interact. energy: -1.554
local terms energy: -116.003958
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: -35.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -335.370558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.370558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.370558 (E_RNA)
where:
Base-Base interactions energy: -224.677
where: short stacking energy: -98.305
Base-Backbone interact. energy: -0.732
local terms energy: -109.962325
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -32.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -331.815610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.815610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.815610 (E_RNA)
where:
Base-Base interactions energy: -223.379
where: short stacking energy: -97.853
Base-Backbone interact. energy: -1.332
local terms energy: -107.104974
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -29.507
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: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -336.210746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.210746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.210746 (E_RNA)
where:
Base-Base interactions energy: -224.421
where: short stacking energy: -101.329
Base-Backbone interact. energy: -0.384
local terms energy: -111.405768
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: -31.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -269.184375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.184375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.184375 (E_RNA)
where:
Base-Base interactions energy: -167.703
where: short stacking energy: -82.916
Base-Backbone interact. energy: -0.451
local terms energy: -101.030711
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -22.805
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: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -269.884104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.884104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.884104 (E_RNA)
where:
Base-Base interactions energy: -161.745
where: short stacking energy: -86.766
Base-Backbone interact. energy: -0.188
local terms energy: -107.951698
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -27.470
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: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -178.078047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.078047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.078047 (E_RNA)
where:
Base-Base interactions energy: -98.392
where: short stacking energy: -57.997
Base-Backbone interact. energy: -0.110
local terms energy: -79.575770
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -20.131
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -145.853774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.853774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.853774 (E_RNA)
where:
Base-Base interactions energy: -73.960
where: short stacking energy: -39.647
Base-Backbone interact. energy: 0.330
local terms energy: -72.224282
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -11.055
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: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -105.793431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.793431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.793431 (E_RNA)
where:
Base-Base interactions energy: -42.510
where: short stacking energy: -42.318
Base-Backbone interact. energy: 0.214
local terms energy: -63.497314
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -4.642
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: 263
Temperature: 1.350000
Total energy: -107.147605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.147605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.147605 (E_RNA)
where:
Base-Base interactions energy: -36.781
where: short stacking energy: -28.860
Base-Backbone interact. energy: -0.292
local terms energy: -70.074549
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -4.108
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: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -341.461383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.461383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.461383 (E_RNA)
where:
Base-Base interactions energy: -233.149
where: short stacking energy: -96.597
Base-Backbone interact. energy: -0.110
local terms energy: -108.203251
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -27.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -338.234078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.234078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.234078 (E_RNA)
where:
Base-Base interactions energy: -227.850
where: short stacking energy: -100.937
Base-Backbone interact. energy: -0.281
local terms energy: -110.102368
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -30.819
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: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -330.466111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.466111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.466111 (E_RNA)
where:
Base-Base interactions energy: -211.630
where: short stacking energy: -89.661
Base-Backbone interact. energy: -2.056
local terms energy: -116.780728
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -24.397
flat angles P-C4'-P energy: -18.809
tors. eta vs tors. theta energy: -27.939
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: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -318.420750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.420750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.420750 (E_RNA)
where:
Base-Base interactions energy: -212.764
where: short stacking energy: -91.090
Base-Backbone interact. energy: -0.044
local terms energy: -105.612803
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -22.778
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -27.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -251.683442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.683442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.683442 (E_RNA)
where:
Base-Base interactions energy: -159.039
where: short stacking energy: -74.253
Base-Backbone interact. energy: -0.868
local terms energy: -91.775704
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -22.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -246.809538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.809538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.809538 (E_RNA)
where:
Base-Base interactions energy: -148.926
where: short stacking energy: -71.828
Base-Backbone interact. energy: -0.745
local terms energy: -97.138321
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -156.072284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.072284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.072284 (E_RNA)
where:
Base-Base interactions energy: -89.726
where: short stacking energy: -45.951
Base-Backbone interact. energy: -0.120
local terms energy: -66.226515
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -171.136585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.136585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.136585 (E_RNA)
where:
Base-Base interactions energy: -88.074
where: short stacking energy: -47.452
Base-Backbone interact. energy: -0.467
local terms energy: -82.595165
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -114.028500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.028500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.028500 (E_RNA)
where:
Base-Base interactions energy: -58.392
where: short stacking energy: -40.467
Base-Backbone interact. energy: -0.405
local terms energy: -55.231806
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -3.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -100.179843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.179843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.179843 (E_RNA)
where:
Base-Base interactions energy: -34.810
where: short stacking energy: -15.266
Base-Backbone interact. energy: 0.135
local terms energy: -65.504710
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: 5.946
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: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -343.752799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.752799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.752799 (E_RNA)
where:
Base-Base interactions energy: -229.511
where: short stacking energy: -98.807
Base-Backbone interact. energy: -0.933
local terms energy: -113.308556
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -34.916
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: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -341.847062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.847062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.847062 (E_RNA)
where:
Base-Base interactions energy: -228.128
where: short stacking energy: -94.602
Base-Backbone interact. energy: -1.642
local terms energy: -112.077324
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -34.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -324.335331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.335331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.335331 (E_RNA)
where:
Base-Base interactions energy: -230.250
where: short stacking energy: -87.268
Base-Backbone interact. energy: -0.606
local terms energy: -93.479377
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -28.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -318.352278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.352278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.352278 (E_RNA)
where:
Base-Base interactions energy: -218.847
where: short stacking energy: -91.349
Base-Backbone interact. energy: -0.638
local terms energy: -98.867641
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -30.919
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: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -270.833199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.833199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.833199 (E_RNA)
where:
Base-Base interactions energy: -170.330
where: short stacking energy: -88.401
Base-Backbone interact. energy: -0.177
local terms energy: -100.326054
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -254.490479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.490479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.490479 (E_RNA)
where:
Base-Base interactions energy: -161.060
where: short stacking energy: -78.470
Base-Backbone interact. energy: -0.198
local terms energy: -93.232275
where:
bonds (distance) C4'-P energy: -23.152
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -21.778
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: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -161.173660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.173660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.173660 (E_RNA)
where:
Base-Base interactions energy: -78.820
where: short stacking energy: -46.131
Base-Backbone interact. energy: -0.211
local terms energy: -82.143603
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -10.233
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: 265
Temperature: 1.250000
Total energy: -122.031569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.031569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.031569 (E_RNA)
where:
Base-Base interactions energy: -57.314
where: short stacking energy: -35.307
Base-Backbone interact. energy: -0.374
local terms energy: -64.343499
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -156.020113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.020113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.020113 (E_RNA)
where:
Base-Base interactions energy: -87.870
where: short stacking energy: -53.783
Base-Backbone interact. energy: 1.348
local terms energy: -69.498459
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -6.226
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: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -106.990336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.990336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.990336 (E_RNA)
where:
Base-Base interactions energy: -38.885
where: short stacking energy: -38.885
Base-Backbone interact. energy: -0.424
local terms energy: -67.681493
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -348.591160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.591160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.591160 (E_RNA)
where:
Base-Base interactions energy: -225.712
where: short stacking energy: -99.944
Base-Backbone interact. energy: -2.143
local terms energy: -120.736178
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -34.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -342.768196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.768196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.768196 (E_RNA)
where:
Base-Base interactions energy: -223.235
where: short stacking energy: -94.111
Base-Backbone interact. energy: -0.635
local terms energy: -118.898162
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -25.008
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -18.093
tors. eta vs tors. theta energy: -31.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -335.536920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.536920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.536920 (E_RNA)
where:
Base-Base interactions energy: -223.331
where: short stacking energy: -91.293
Base-Backbone interact. energy: -0.858
local terms energy: -111.347928
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -31.992
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: 266
Temperature: 1.050000
Total energy: -319.744225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.744225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.744225 (E_RNA)
where:
Base-Base interactions energy: -217.200
where: short stacking energy: -92.843
Base-Backbone interact. energy: -1.822
local terms energy: -100.722342
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -20.231
tors. eta vs tors. theta energy: -29.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -257.718115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.718115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.718115 (E_RNA)
where:
Base-Base interactions energy: -166.860
where: short stacking energy: -78.997
Base-Backbone interact. energy: 0.781
local terms energy: -91.639170
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -12.574
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: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -240.650127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.650127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.650127 (E_RNA)
where:
Base-Base interactions energy: -149.357
where: short stacking energy: -72.336
Base-Backbone interact. energy: -0.058
local terms energy: -91.235727
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -114.536102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.536102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.536102 (E_RNA)
where:
Base-Base interactions energy: -41.185
where: short stacking energy: -39.751
Base-Backbone interact. energy: -0.184
local terms energy: -73.167585
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -120.261530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.261530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.261530 (E_RNA)
where:
Base-Base interactions energy: -49.272
where: short stacking energy: -29.484
Base-Backbone interact. energy: 0.150
local terms energy: -71.139048
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: 0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -116.969580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.969580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.969580 (E_RNA)
where:
Base-Base interactions energy: -47.194
where: short stacking energy: -46.323
Base-Backbone interact. energy: -0.241
local terms energy: -69.534844
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -12.547
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: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -102.118897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.118897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.118897 (E_RNA)
where:
Base-Base interactions energy: -32.340
where: short stacking energy: -32.116
Base-Backbone interact. energy: 0.543
local terms energy: -70.321604
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -9.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -355.064701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.064701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.064701 (E_RNA)
where:
Base-Base interactions energy: -235.166
where: short stacking energy: -103.792
Base-Backbone interact. energy: -2.206
local terms energy: -117.692994
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -33.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -335.809101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.809101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.809101 (E_RNA)
where:
Base-Base interactions energy: -223.053
where: short stacking energy: -98.215
Base-Backbone interact. energy: -0.251
local terms energy: -112.505003
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -22.698
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -31.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -323.918501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.918501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.918501 (E_RNA)
where:
Base-Base interactions energy: -216.075
where: short stacking energy: -99.322
Base-Backbone interact. energy: -0.292
local terms energy: -107.551296
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -28.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -337.831591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.831591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.831591 (E_RNA)
where:
Base-Base interactions energy: -231.554
where: short stacking energy: -107.488
Base-Backbone interact. energy: -0.309
local terms energy: -105.969231
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -22.769
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -30.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -272.191725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.191725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.191725 (E_RNA)
where:
Base-Base interactions energy: -169.177
where: short stacking energy: -101.607
Base-Backbone interact. energy: -0.043
local terms energy: -102.971756
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -22.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -268.464621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.464621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.464621 (E_RNA)
where:
Base-Base interactions energy: -181.440
where: short stacking energy: -92.945
Base-Backbone interact. energy: -0.263
local terms energy: -86.761807
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -27.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -118.751575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.751575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.751575 (E_RNA)
where:
Base-Base interactions energy: -49.621
where: short stacking energy: -43.028
Base-Backbone interact. energy: -0.201
local terms energy: -68.929345
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -107.573708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.573708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.573708 (E_RNA)
where:
Base-Base interactions energy: -32.856
where: short stacking energy: -32.856
Base-Backbone interact. energy: -0.132
local terms energy: -74.584962
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -25.479
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: 2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -113.105968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.105968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.105968 (E_RNA)
where:
Base-Base interactions energy: -46.873
where: short stacking energy: -42.613
Base-Backbone interact. energy: -0.132
local terms energy: -66.101276
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -7.375
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: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -106.006958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.006958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.006958 (E_RNA)
where:
Base-Base interactions energy: -52.373
where: short stacking energy: -33.802
Base-Backbone interact. energy: -0.120
local terms energy: -53.514378
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -348.466225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.466225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.466225 (E_RNA)
where:
Base-Base interactions energy: -230.925
where: short stacking energy: -109.785
Base-Backbone interact. energy: -0.593
local terms energy: -116.948769
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -33.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -338.634986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.634986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.634986 (E_RNA)
where:
Base-Base interactions energy: -229.298
where: short stacking energy: -103.598
Base-Backbone interact. energy: -0.284
local terms energy: -109.052578
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -31.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -331.695558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.695558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.695558 (E_RNA)
where:
Base-Base interactions energy: -224.849
where: short stacking energy: -97.625
Base-Backbone interact. energy: -1.136
local terms energy: -105.710733
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -32.849
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: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -331.771470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.771470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.771470 (E_RNA)
where:
Base-Base interactions energy: -225.082
where: short stacking energy: -101.230
Base-Backbone interact. energy: 1.314
local terms energy: -108.003333
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -30.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -260.077255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.077255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.077255 (E_RNA)
where:
Base-Base interactions energy: -169.357
where: short stacking energy: -83.002
Base-Backbone interact. energy: -0.301
local terms energy: -90.418733
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -259.125275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.125275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.125275 (E_RNA)
where:
Base-Base interactions energy: -163.391
where: short stacking energy: -78.565
Base-Backbone interact. energy: -0.175
local terms energy: -95.559720
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -23.797
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: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -123.476333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.476333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.476333 (E_RNA)
where:
Base-Base interactions energy: -52.701
where: short stacking energy: -50.288
Base-Backbone interact. energy: -0.197
local terms energy: -70.578497
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -130.075005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.075005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.075005 (E_RNA)
where:
Base-Base interactions energy: -65.581
where: short stacking energy: -62.438
Base-Backbone interact. energy: -0.094
local terms energy: -64.400356
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -10.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -104.519467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.519467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.519467 (E_RNA)
where:
Base-Base interactions energy: -47.860
where: short stacking energy: -36.555
Base-Backbone interact. energy: -0.421
local terms energy: -56.238304
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -99.221683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.221683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.221683 (E_RNA)
where:
Base-Base interactions energy: -42.915
where: short stacking energy: -27.540
Base-Backbone interact. energy: 1.595
local terms energy: -57.901884
where:
bonds (distance) C4'-P energy: -8.457
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -355.356965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.356965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.356965 (E_RNA)
where:
Base-Base interactions energy: -242.609
where: short stacking energy: -101.494
Base-Backbone interact. energy: -0.019
local terms energy: -112.728573
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -23.786
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -25.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -346.983118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.983118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.983118 (E_RNA)
where:
Base-Base interactions energy: -221.514
where: short stacking energy: -106.648
Base-Backbone interact. energy: -1.801
local terms energy: -123.668200
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -26.647
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -34.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -334.352282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.352282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.352282 (E_RNA)
where:
Base-Base interactions energy: -219.434
where: short stacking energy: -97.002
Base-Backbone interact. energy: -0.996
local terms energy: -113.922922
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -31.149
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: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -323.048960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.048960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.048960 (E_RNA)
where:
Base-Base interactions energy: -218.542
where: short stacking energy: -90.716
Base-Backbone interact. energy: -0.082
local terms energy: -104.425408
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -23.736
flat angles C4'-P-C4' energy: -21.574
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -27.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -266.286523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.286523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.286523 (E_RNA)
where:
Base-Base interactions energy: -173.962
where: short stacking energy: -87.834
Base-Backbone interact. energy: -1.701
local terms energy: -90.623084
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -23.269
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: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -270.237125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.237125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.237125 (E_RNA)
where:
Base-Base interactions energy: -174.030
where: short stacking energy: -82.471
Base-Backbone interact. energy: -0.011
local terms energy: -96.196040
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -26.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -128.845798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.845798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.845798 (E_RNA)
where:
Base-Base interactions energy: -55.455
where: short stacking energy: -54.518
Base-Backbone interact. energy: -0.205
local terms energy: -73.185604
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -6.996
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: 269
Temperature: 1.250000
Total energy: -112.765343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.765343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.765343 (E_RNA)
where:
Base-Base interactions energy: -53.135
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.423
local terms energy: -59.206722
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: 0.388
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: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -113.191067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.191067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.191067 (E_RNA)
where:
Base-Base interactions energy: -38.066
where: short stacking energy: -38.066
Base-Backbone interact. energy: -0.202
local terms energy: -74.922827
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -8.961
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: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -92.294113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.294113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.294113 (E_RNA)
where:
Base-Base interactions energy: -35.063
where: short stacking energy: -28.973
Base-Backbone interact. energy: -0.383
local terms energy: -56.848287
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -5.327
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: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -342.680308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.680308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.680308 (E_RNA)
where:
Base-Base interactions energy: -222.726
where: short stacking energy: -101.472
Base-Backbone interact. energy: -1.926
local terms energy: -118.028863
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -32.378
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: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -336.767778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.767778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.767778 (E_RNA)
where:
Base-Base interactions energy: -228.765
where: short stacking energy: -99.464
Base-Backbone interact. energy: -0.108
local terms energy: -107.894762
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -33.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -342.505430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.505430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.505430 (E_RNA)
where:
Base-Base interactions energy: -226.740
where: short stacking energy: -102.446
Base-Backbone interact. energy: -0.286
local terms energy: -115.478923
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -30.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -323.247854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.247854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.247854 (E_RNA)
where:
Base-Base interactions energy: -215.652
where: short stacking energy: -97.247
Base-Backbone interact. energy: -0.247
local terms energy: -107.348898
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -24.557
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -29.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -272.187842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.187842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.187842 (E_RNA)
where:
Base-Base interactions energy: -175.563
where: short stacking energy: -86.966
Base-Backbone interact. energy: -0.415
local terms energy: -96.209917
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -23.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -249.591115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.591115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.591115 (E_RNA)
where:
Base-Base interactions energy: -154.160
where: short stacking energy: -73.013
Base-Backbone interact. energy: -0.075
local terms energy: -95.355799
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -14.732
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: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -172.107031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.107031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.107031 (E_RNA)
where:
Base-Base interactions energy: -97.084
where: short stacking energy: -56.614
Base-Backbone interact. energy: -0.694
local terms energy: -74.328693
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -11.682
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: 270
Temperature: 1.250000
Total energy: -113.149952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.149952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.149952 (E_RNA)
where:
Base-Base interactions energy: -33.855
where: short stacking energy: -32.265
Base-Backbone interact. energy: -0.900
local terms energy: -78.394847
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -15.282
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -138.640601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.640601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.640601 (E_RNA)
where:
Base-Base interactions energy: -69.055
where: short stacking energy: -44.390
Base-Backbone interact. energy: -0.139
local terms energy: -69.446669
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -99.701042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.701042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.701042 (E_RNA)
where:
Base-Base interactions energy: -37.566
where: short stacking energy: -34.898
Base-Backbone interact. energy: -0.042
local terms energy: -62.093232
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -6.686
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: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -347.940110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.940110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.940110 (E_RNA)
where:
Base-Base interactions energy: -228.271
where: short stacking energy: -98.084
Base-Backbone interact. energy: -0.630
local terms energy: -119.038748
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -18.425
tors. eta vs tors. theta energy: -30.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -347.081842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.081842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.081842 (E_RNA)
where:
Base-Base interactions energy: -225.848
where: short stacking energy: -103.740
Base-Backbone interact. energy: -0.574
local terms energy: -120.659070
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -35.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -325.206193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.206193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.206193 (E_RNA)
where:
Base-Base interactions energy: -216.312
where: short stacking energy: -96.985
Base-Backbone interact. energy: -0.930
local terms energy: -107.963977
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -29.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -332.689107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.689107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.689107 (E_RNA)
where:
Base-Base interactions energy: -230.226
where: short stacking energy: -99.417
Base-Backbone interact. energy: -1.001
local terms energy: -101.462441
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -34.430
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: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -282.496442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.496442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.496442 (E_RNA)
where:
Base-Base interactions energy: -184.135
where: short stacking energy: -93.400
Base-Backbone interact. energy: -0.045
local terms energy: -98.317058
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -24.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -261.556005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.556005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.556005 (E_RNA)
where:
Base-Base interactions energy: -163.885
where: short stacking energy: -77.453
Base-Backbone interact. energy: -0.173
local terms energy: -97.498310
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -191.382298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.382298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.382298 (E_RNA)
where:
Base-Base interactions energy: -110.771
where: short stacking energy: -57.116
Base-Backbone interact. energy: 1.428
local terms energy: -82.039280
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -9.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -101.675573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.675573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.675573 (E_RNA)
where:
Base-Base interactions energy: -41.735
where: short stacking energy: -40.077
Base-Backbone interact. energy: -0.229
local terms energy: -59.711641
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -2.252
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: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -104.554853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.554853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.554853 (E_RNA)
where:
Base-Base interactions energy: -43.878
where: short stacking energy: -35.111
Base-Backbone interact. energy: -0.090
local terms energy: -60.586656
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: 1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -96.625580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.625580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.625580 (E_RNA)
where:
Base-Base interactions energy: -32.154
where: short stacking energy: -24.771
Base-Backbone interact. energy: -0.881
local terms energy: -63.590526
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: 4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -348.264627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.264627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.264627 (E_RNA)
where:
Base-Base interactions energy: -238.833
where: short stacking energy: -100.280
Base-Backbone interact. energy: -1.098
local terms energy: -108.333394
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -29.632
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: 272
Temperature: 0.950000
Total energy: -337.044068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.044068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.044068 (E_RNA)
where:
Base-Base interactions energy: -222.278
where: short stacking energy: -96.551
Base-Backbone interact. energy: -0.610
local terms energy: -114.155836
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -25.721
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -33.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -324.878731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.878731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.878731 (E_RNA)
where:
Base-Base interactions energy: -215.526
where: short stacking energy: -94.961
Base-Backbone interact. energy: -0.099
local terms energy: -109.254528
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -25.515
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -31.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -333.458778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.458778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.458778 (E_RNA)
where:
Base-Base interactions energy: -232.364
where: short stacking energy: -100.756
Base-Backbone interact. energy: -0.172
local terms energy: -100.922285
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -32.136
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: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -249.325559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.325559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.325559 (E_RNA)
where:
Base-Base interactions energy: -162.228
where: short stacking energy: -73.637
Base-Backbone interact. energy: -0.799
local terms energy: -86.298230
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -263.477098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.477098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.477098 (E_RNA)
where:
Base-Base interactions energy: -171.077
where: short stacking energy: -79.720
Base-Backbone interact. energy: -0.021
local terms energy: -92.378732
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -15.470
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: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -171.035779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.035779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.035779 (E_RNA)
where:
Base-Base interactions energy: -102.732
where: short stacking energy: -67.520
Base-Backbone interact. energy: -0.097
local terms energy: -68.206773
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -10.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -118.056071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.056071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.056071 (E_RNA)
where:
Base-Base interactions energy: -51.267
where: short stacking energy: -37.079
Base-Backbone interact. energy: -0.299
local terms energy: -66.489797
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -103.422022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.422022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.422022 (E_RNA)
where:
Base-Base interactions energy: -39.212
where: short stacking energy: -39.212
Base-Backbone interact. energy: 0.912
local terms energy: -65.122659
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -106.786727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.786727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.786727 (E_RNA)
where:
Base-Base interactions energy: -37.904
where: short stacking energy: -37.904
Base-Backbone interact. energy: -0.307
local terms energy: -68.575288
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -344.648141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.648141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.648141 (E_RNA)
where:
Base-Base interactions energy: -233.259
where: short stacking energy: -104.778
Base-Backbone interact. energy: -3.365
local terms energy: -108.024379
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -24.149
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -31.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -342.691148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.691148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.691148 (E_RNA)
where:
Base-Base interactions energy: -232.728
where: short stacking energy: -108.095
Base-Backbone interact. energy: 0.006
local terms energy: -109.969313
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -33.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -319.494367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.494367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.494367 (E_RNA)
where:
Base-Base interactions energy: -213.837
where: short stacking energy: -97.804
Base-Backbone interact. energy: -0.284
local terms energy: -105.373180
where:
bonds (distance) C4'-P energy: -20.752
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -29.477
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: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -321.856013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.856013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.856013 (E_RNA)
where:
Base-Base interactions energy: -212.248
where: short stacking energy: -90.537
Base-Backbone interact. energy: -0.012
local terms energy: -109.595718
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -28.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -265.924509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.924509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.924509 (E_RNA)
where:
Base-Base interactions energy: -169.776
where: short stacking energy: -83.238
Base-Backbone interact. energy: -0.100
local terms energy: -96.048247
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -258.948593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.948593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.948593 (E_RNA)
where:
Base-Base interactions energy: -168.976
where: short stacking energy: -74.843
Base-Backbone interact. energy: 0.061
local terms energy: -90.033550
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -22.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -122.074569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.074569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.074569 (E_RNA)
where:
Base-Base interactions energy: -52.099
where: short stacking energy: -34.697
Base-Backbone interact. energy: -0.552
local terms energy: -69.424335
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -115.507254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.507254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.507254 (E_RNA)
where:
Base-Base interactions energy: -45.945
where: short stacking energy: -37.899
Base-Backbone interact. energy: 0.910
local terms energy: -70.471374
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -109.630965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.630965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.630965 (E_RNA)
where:
Base-Base interactions energy: -41.593
where: short stacking energy: -41.260
Base-Backbone interact. energy: -0.150
local terms energy: -67.887919
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -6.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -104.015696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.015696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.015696 (E_RNA)
where:
Base-Base interactions energy: -43.794
where: short stacking energy: -40.866
Base-Backbone interact. energy: 0.085
local terms energy: -60.306130
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -2.581
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: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -343.348682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.348682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.348682 (E_RNA)
where:
Base-Base interactions energy: -234.387
where: short stacking energy: -94.879
Base-Backbone interact. energy: -0.491
local terms energy: -108.470537
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -27.089
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: 2, replica: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -347.209174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.209174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.209174 (E_RNA)
where:
Base-Base interactions energy: -226.512
where: short stacking energy: -103.865
Base-Backbone interact. energy: -1.067
local terms energy: -119.630784
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -35.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -326.386414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.386414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.386414 (E_RNA)
where:
Base-Base interactions energy: -219.360
where: short stacking energy: -96.566
Base-Backbone interact. energy: -0.106
local terms energy: -106.920886
where:
bonds (distance) C4'-P energy: -19.814
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -30.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -334.631189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.631189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.631189 (E_RNA)
where:
Base-Base interactions energy: -227.499
where: short stacking energy: -100.053
Base-Backbone interact. energy: -0.654
local terms energy: -106.478702
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -29.024
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: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -267.384337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.384337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.384337 (E_RNA)
where:
Base-Base interactions energy: -182.181
where: short stacking energy: -90.829
Base-Backbone interact. energy: -0.012
local terms energy: -85.192078
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -21.324
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: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -253.437161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.437161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.437161 (E_RNA)
where:
Base-Base interactions energy: -158.717
where: short stacking energy: -82.886
Base-Backbone interact. energy: -1.023
local terms energy: -93.697523
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -20.422
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: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -146.767874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.767874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.767874 (E_RNA)
where:
Base-Base interactions energy: -70.541
where: short stacking energy: -51.379
Base-Backbone interact. energy: -0.660
local terms energy: -75.567323
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -114.197538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.197538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.197538 (E_RNA)
where:
Base-Base interactions energy: -48.939
where: short stacking energy: -34.024
Base-Backbone interact. energy: -0.201
local terms energy: -65.057320
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -105.787101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.787101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.787101 (E_RNA)
where:
Base-Base interactions energy: -31.076
where: short stacking energy: -29.150
Base-Backbone interact. energy: -0.274
local terms energy: -74.436713
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -106.340308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.340308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.340308 (E_RNA)
where:
Base-Base interactions energy: -35.908
where: short stacking energy: -35.908
Base-Backbone interact. energy: -0.184
local terms energy: -70.248209
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -341.181839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.181839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.181839 (E_RNA)
where:
Base-Base interactions energy: -224.830
where: short stacking energy: -98.052
Base-Backbone interact. energy: -0.414
local terms energy: -115.938378
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -25.657
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -32.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -331.076056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.076056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.076056 (E_RNA)
where:
Base-Base interactions energy: -220.229
where: short stacking energy: -91.254
Base-Backbone interact. energy: -0.409
local terms energy: -110.438390
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -30.598
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: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -337.293071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.293071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.293071 (E_RNA)
where:
Base-Base interactions energy: -218.188
where: short stacking energy: -100.913
Base-Backbone interact. energy: -1.251
local terms energy: -117.854252
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -33.214
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: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -324.624693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.624693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.624693 (E_RNA)
where:
Base-Base interactions energy: -227.233
where: short stacking energy: -101.057
Base-Backbone interact. energy: -0.504
local terms energy: -96.888062
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -33.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -268.090081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.090081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.090081 (E_RNA)
where:
Base-Base interactions energy: -171.257
where: short stacking energy: -96.789
Base-Backbone interact. energy: 0.039
local terms energy: -96.871759
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -24.198
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -24.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -261.272685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.272685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.272685 (E_RNA)
where:
Base-Base interactions energy: -162.301
where: short stacking energy: -76.965
Base-Backbone interact. energy: 0.283
local terms energy: -99.254010
where:
bonds (distance) C4'-P energy: -20.693
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -123.016531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.016531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.016531 (E_RNA)
where:
Base-Base interactions energy: -53.591
where: short stacking energy: -53.398
Base-Backbone interact. energy: 1.644
local terms energy: -71.069839
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -112.343715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.343715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.343715 (E_RNA)
where:
Base-Base interactions energy: -43.188
where: short stacking energy: -39.509
Base-Backbone interact. energy: 0.088
local terms energy: -69.243449
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -104.229416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.229416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.229416 (E_RNA)
where:
Base-Base interactions energy: -38.975
where: short stacking energy: -35.750
Base-Backbone interact. energy: -0.166
local terms energy: -65.088609
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -105.342006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.342006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.342006 (E_RNA)
where:
Base-Base interactions energy: -36.000
where: short stacking energy: -34.787
Base-Backbone interact. energy: 1.273
local terms energy: -70.615291
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -340.236474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.236474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.236474 (E_RNA)
where:
Base-Base interactions energy: -233.375
where: short stacking energy: -99.674
Base-Backbone interact. energy: -0.187
local terms energy: -106.674183
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -31.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -338.151182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.151182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.151182 (E_RNA)
where:
Base-Base interactions energy: -230.615
where: short stacking energy: -104.713
Base-Backbone interact. energy: -0.748
local terms energy: -106.787909
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -31.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -328.666092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.666092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.666092 (E_RNA)
where:
Base-Base interactions energy: -216.759
where: short stacking energy: -93.806
Base-Backbone interact. energy: -1.281
local terms energy: -110.626090
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -33.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -332.256066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.256066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.256066 (E_RNA)
where:
Base-Base interactions energy: -224.713
where: short stacking energy: -101.520
Base-Backbone interact. energy: -0.223
local terms energy: -107.320469
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -24.876
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -273.046775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.046775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.046775 (E_RNA)
where:
Base-Base interactions energy: -177.469
where: short stacking energy: -92.492
Base-Backbone interact. energy: -0.026
local terms energy: -95.551640
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -28.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -254.350379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.350379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.350379 (E_RNA)
where:
Base-Base interactions energy: -167.246
where: short stacking energy: -85.103
Base-Backbone interact. energy: -0.769
local terms energy: -86.335621
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -21.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -119.102214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.102214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.102214 (E_RNA)
where:
Base-Base interactions energy: -47.244
where: short stacking energy: -44.721
Base-Backbone interact. energy: 0.132
local terms energy: -71.990281
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -5.932
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: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -111.370716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.370716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.370716 (E_RNA)
where:
Base-Base interactions energy: -40.701
where: short stacking energy: -36.388
Base-Backbone interact. energy: -0.151
local terms energy: -70.519050
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -112.619969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.619969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.619969 (E_RNA)
where:
Base-Base interactions energy: -46.244
where: short stacking energy: -42.311
Base-Backbone interact. energy: -0.176
local terms energy: -66.199849
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -96.621142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.621142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.621142 (E_RNA)
where:
Base-Base interactions energy: -41.887
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.086
local terms energy: -54.647924
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -2.612
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -350.259867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.259867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.259867 (E_RNA)
where:
Base-Base interactions energy: -239.364
where: short stacking energy: -103.325
Base-Backbone interact. energy: -2.013
local terms energy: -108.882593
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -32.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -346.431680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.431680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.431680 (E_RNA)
where:
Base-Base interactions energy: -235.902
where: short stacking energy: -106.543
Base-Backbone interact. energy: -1.599
local terms energy: -108.930597
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -32.901
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: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -334.213283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.213283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.213283 (E_RNA)
where:
Base-Base interactions energy: -229.148
where: short stacking energy: -99.553
Base-Backbone interact. energy: -1.806
local terms energy: -103.258963
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -31.268
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: 277
Temperature: 1.050000
Total energy: -321.869861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.869861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.869861 (E_RNA)
where:
Base-Base interactions energy: -216.884
where: short stacking energy: -100.749
Base-Backbone interact. energy: -0.171
local terms energy: -104.815251
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -30.314
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: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -269.168977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.168977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.168977 (E_RNA)
where:
Base-Base interactions energy: -168.227
where: short stacking energy: -82.452
Base-Backbone interact. energy: -0.117
local terms energy: -100.825141
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -258.343029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.343029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.343029 (E_RNA)
where:
Base-Base interactions energy: -163.671
where: short stacking energy: -84.304
Base-Backbone interact. energy: -0.609
local terms energy: -94.063491
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -20.251
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: 7, replica: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -119.662175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.662175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.662175 (E_RNA)
where:
Base-Base interactions energy: -43.683
where: short stacking energy: -43.683
Base-Backbone interact. energy: -0.025
local terms energy: -75.953776
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -15.430
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: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -109.486961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.486961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.486961 (E_RNA)
where:
Base-Base interactions energy: -40.604
where: short stacking energy: -40.604
Base-Backbone interact. energy: -0.531
local terms energy: -68.352143
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -20.201
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -107.648675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.648675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.648675 (E_RNA)
where:
Base-Base interactions energy: -38.207
where: short stacking energy: -34.543
Base-Backbone interact. energy: -0.039
local terms energy: -69.402418
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: 5.489
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: 277
Temperature: 1.350000
Total energy: -98.693628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.693628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.693628 (E_RNA)
where:
Base-Base interactions energy: -34.404
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.102
local terms energy: -64.187761
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -333.146102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.146102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.146102 (E_RNA)
where:
Base-Base interactions energy: -226.940
where: short stacking energy: -97.415
Base-Backbone interact. energy: -0.620
local terms energy: -105.585395
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -25.193
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: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -343.728183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.728183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.728183 (E_RNA)
where:
Base-Base interactions energy: -231.649
where: short stacking energy: -91.783
Base-Backbone interact. energy: -1.185
local terms energy: -110.894130
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -31.469
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: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -338.024330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.024330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.024330 (E_RNA)
where:
Base-Base interactions energy: -223.325
where: short stacking energy: -97.181
Base-Backbone interact. energy: -0.815
local terms energy: -113.884574
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -33.217
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: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -319.640235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.640235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.640235 (E_RNA)
where:
Base-Base interactions energy: -214.826
where: short stacking energy: -87.218
Base-Backbone interact. energy: -0.416
local terms energy: -104.398145
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -31.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -258.599756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.599756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.599756 (E_RNA)
where:
Base-Base interactions energy: -159.609
where: short stacking energy: -92.540
Base-Backbone interact. energy: -0.638
local terms energy: -98.353022
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -23.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -244.829074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.829074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.829074 (E_RNA)
where:
Base-Base interactions energy: -150.696
where: short stacking energy: -68.328
Base-Backbone interact. energy: -0.672
local terms energy: -93.461592
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -22.880
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: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -123.343425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.343425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.343425 (E_RNA)
where:
Base-Base interactions energy: -53.520
where: short stacking energy: -45.072
Base-Backbone interact. energy: -0.152
local terms energy: -69.671359
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -10.073
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: 8, replica: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -109.636996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.636996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.636996 (E_RNA)
where:
Base-Base interactions energy: -40.832
where: short stacking energy: -37.518
Base-Backbone interact. energy: -0.081
local terms energy: -68.724038
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -7.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -111.284335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.284335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.284335 (E_RNA)
where:
Base-Base interactions energy: -47.656
where: short stacking energy: -35.820
Base-Backbone interact. energy: -0.171
local terms energy: -63.457354
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -104.719241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.719241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.719241 (E_RNA)
where:
Base-Base interactions energy: -36.636
where: short stacking energy: -31.951
Base-Backbone interact. energy: 0.179
local terms energy: -68.263036
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: 1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -339.659341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.659341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.659341 (E_RNA)
where:
Base-Base interactions energy: -228.319
where: short stacking energy: -93.857
Base-Backbone interact. energy: -0.381
local terms energy: -110.960151
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -28.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -342.342070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.342070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.342070 (E_RNA)
where:
Base-Base interactions energy: -224.214
where: short stacking energy: -100.716
Base-Backbone interact. energy: -2.380
local terms energy: -115.748029
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -33.924
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: 279
Temperature: 1.000000
Total energy: -328.605779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.605779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.605779 (E_RNA)
where:
Base-Base interactions energy: -214.538
where: short stacking energy: -95.467
Base-Backbone interact. energy: -0.586
local terms energy: -113.481752
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -31.948
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: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -323.556550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.556550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.556550 (E_RNA)
where:
Base-Base interactions energy: -219.765
where: short stacking energy: -95.707
Base-Backbone interact. energy: -0.044
local terms energy: -103.747345
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -28.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -266.152426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.152426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.152426 (E_RNA)
where:
Base-Base interactions energy: -170.867
where: short stacking energy: -81.055
Base-Backbone interact. energy: -0.169
local terms energy: -95.116957
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -25.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -244.800695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.800695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.800695 (E_RNA)
where:
Base-Base interactions energy: -161.713
where: short stacking energy: -79.086
Base-Backbone interact. energy: -0.024
local terms energy: -83.064086
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -125.884105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.884105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.884105 (E_RNA)
where:
Base-Base interactions energy: -58.373
where: short stacking energy: -34.847
Base-Backbone interact. energy: -0.331
local terms energy: -67.180563
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -19.874
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: 0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -123.221167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.221167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.221167 (E_RNA)
where:
Base-Base interactions energy: -50.797
where: short stacking energy: -50.539
Base-Backbone interact. energy: -1.026
local terms energy: -71.398243
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -110.217930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.217930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.217930 (E_RNA)
where:
Base-Base interactions energy: -45.977
where: short stacking energy: -41.555
Base-Backbone interact. energy: 0.482
local terms energy: -64.723070
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -93.140688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.140688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.140688 (E_RNA)
where:
Base-Base interactions energy: -43.413
where: short stacking energy: -23.300
Base-Backbone interact. energy: 1.310
local terms energy: -51.037412
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -9.345
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: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -344.317720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.317720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.317720 (E_RNA)
where:
Base-Base interactions energy: -227.083
where: short stacking energy: -97.985
Base-Backbone interact. energy: -2.882
local terms energy: -114.352919
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -32.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -334.934510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.934510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.934510 (E_RNA)
where:
Base-Base interactions energy: -226.465
where: short stacking energy: -95.604
Base-Backbone interact. energy: -0.330
local terms energy: -108.139793
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -332.375115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.375115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.375115 (E_RNA)
where:
Base-Base interactions energy: -224.049
where: short stacking energy: -104.214
Base-Backbone interact. energy: -0.630
local terms energy: -107.695917
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -30.509
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: 280
Temperature: 1.050000
Total energy: -336.063750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.063750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.063750 (E_RNA)
where:
Base-Base interactions energy: -225.876
where: short stacking energy: -98.052
Base-Backbone interact. energy: -1.560
local terms energy: -108.627830
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -32.206
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: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -278.417330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.417330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.417330 (E_RNA)
where:
Base-Base interactions energy: -183.449
where: short stacking energy: -92.848
Base-Backbone interact. energy: -0.504
local terms energy: -94.464220
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -24.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -253.584475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.584475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.584475 (E_RNA)
where:
Base-Base interactions energy: -165.609
where: short stacking energy: -83.543
Base-Backbone interact. energy: -0.026
local terms energy: -87.949761
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -18.779
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: 280
Temperature: 1.200000
Total energy: -124.292570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.292570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.292570 (E_RNA)
where:
Base-Base interactions energy: -53.394
where: short stacking energy: -30.121
Base-Backbone interact. energy: -0.259
local terms energy: -70.639504
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -0.199
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: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -118.091000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.091000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.091000 (E_RNA)
where:
Base-Base interactions energy: -44.406
where: short stacking energy: -40.251
Base-Backbone interact. energy: -0.071
local terms energy: -73.613819
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -105.247061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.247061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.247061 (E_RNA)
where:
Base-Base interactions energy: -43.576
where: short stacking energy: -40.776
Base-Backbone interact. energy: 1.214
local terms energy: -62.884505
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -102.930420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.930420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.930420 (E_RNA)
where:
Base-Base interactions energy: -31.199
where: short stacking energy: -29.151
Base-Backbone interact. energy: -0.526
local terms energy: -71.205726
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -352.928065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.928065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.928065 (E_RNA)
where:
Base-Base interactions energy: -241.216
where: short stacking energy: -109.001
Base-Backbone interact. energy: -1.261
local terms energy: -110.450664
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -21.607
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -32.850
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: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -337.673896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.673896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.673896 (E_RNA)
where:
Base-Base interactions energy: -220.250
where: short stacking energy: -94.912
Base-Backbone interact. energy: -0.296
local terms energy: -117.128226
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -31.165
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: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -330.130690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.130690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.130690 (E_RNA)
where:
Base-Base interactions energy: -217.846
where: short stacking energy: -106.601
Base-Backbone interact. energy: -0.855
local terms energy: -111.429954
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -30.497
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: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -321.580336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.580336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.580336 (E_RNA)
where:
Base-Base interactions energy: -214.508
where: short stacking energy: -95.119
Base-Backbone interact. energy: -1.269
local terms energy: -105.803412
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -30.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -254.791765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.791765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.791765 (E_RNA)
where:
Base-Base interactions energy: -157.956
where: short stacking energy: -70.786
Base-Backbone interact. energy: -0.128
local terms energy: -96.708497
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -254.905986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.905986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.905986 (E_RNA)
where:
Base-Base interactions energy: -154.543
where: short stacking energy: -78.571
Base-Backbone interact. energy: -0.055
local terms energy: -100.307958
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -25.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -184.619021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.619021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.619021 (E_RNA)
where:
Base-Base interactions energy: -109.667
where: short stacking energy: -53.832
Base-Backbone interact. energy: 0.067
local terms energy: -75.018910
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -13.180
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: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -123.117908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.117908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.117908 (E_RNA)
where:
Base-Base interactions energy: -51.680
where: short stacking energy: -35.794
Base-Backbone interact. energy: 1.857
local terms energy: -73.295265
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -15.864
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: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -107.438247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.438247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.438247 (E_RNA)
where:
Base-Base interactions energy: -50.179
where: short stacking energy: -37.676
Base-Backbone interact. energy: -0.711
local terms energy: -56.548003
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: 2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -104.742982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.742982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.742982 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -35.416
Base-Backbone interact. energy: 0.260
local terms energy: -68.705863
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -25.789
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -344.619432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.619432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.619432 (E_RNA)
where:
Base-Base interactions energy: -236.305
where: short stacking energy: -108.590
Base-Backbone interact. energy: -0.007
local terms energy: -108.308048
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -33.342
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: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -330.685520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.685520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.685520 (E_RNA)
where:
Base-Base interactions energy: -215.427
where: short stacking energy: -89.702
Base-Backbone interact. energy: -0.190
local terms energy: -115.068741
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -29.570
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: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -331.909882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.909882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.909882 (E_RNA)
where:
Base-Base interactions energy: -226.555
where: short stacking energy: -95.612
Base-Backbone interact. energy: -0.152
local terms energy: -105.202792
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -28.609
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: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -328.890749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.890749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.890749 (E_RNA)
where:
Base-Base interactions energy: -220.862
where: short stacking energy: -96.699
Base-Backbone interact. energy: -1.417
local terms energy: -106.611632
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: -30.051
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: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -270.073851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.073851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.073851 (E_RNA)
where:
Base-Base interactions energy: -170.341
where: short stacking energy: -83.023
Base-Backbone interact. energy: -0.434
local terms energy: -99.298344
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -26.373
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: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -261.940736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.940736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.940736 (E_RNA)
where:
Base-Base interactions energy: -170.590
where: short stacking energy: -79.999
Base-Backbone interact. energy: -0.899
local terms energy: -90.451522
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -23.513
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: 282
Temperature: 1.200000
Total energy: -248.006889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.006889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.006889 (E_RNA)
where:
Base-Base interactions energy: -159.186
where: short stacking energy: -74.533
Base-Backbone interact. energy: -0.119
local terms energy: -88.701962
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -129.193113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.193113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.193113 (E_RNA)
where:
Base-Base interactions energy: -55.614
where: short stacking energy: -33.486
Base-Backbone interact. energy: -2.539
local terms energy: -71.039522
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -119.001210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.001210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.001210 (E_RNA)
where:
Base-Base interactions energy: -43.250
where: short stacking energy: -35.393
Base-Backbone interact. energy: -0.419
local terms energy: -75.332578
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -13.181
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: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -118.941697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.941697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.941697 (E_RNA)
where:
Base-Base interactions energy: -47.634
where: short stacking energy: -45.756
Base-Backbone interact. energy: -0.281
local terms energy: -71.026878
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -14.977
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: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -345.254678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.254678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.254678 (E_RNA)
where:
Base-Base interactions energy: -228.636
where: short stacking energy: -105.884
Base-Backbone interact. energy: -0.287
local terms energy: -116.331697
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -23.563
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -30.309
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: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -340.870291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.870291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.870291 (E_RNA)
where:
Base-Base interactions energy: -228.300
where: short stacking energy: -108.735
Base-Backbone interact. energy: -0.621
local terms energy: -111.949522
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -31.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -323.910356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.910356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.910356 (E_RNA)
where:
Base-Base interactions energy: -217.798
where: short stacking energy: -96.654
Base-Backbone interact. energy: -2.249
local terms energy: -103.863481
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -29.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -317.508112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.508112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.508112 (E_RNA)
where:
Base-Base interactions energy: -219.620
where: short stacking energy: -103.200
Base-Backbone interact. energy: -0.006
local terms energy: -97.882504
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -30.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -264.986155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.986155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.986155 (E_RNA)
where:
Base-Base interactions energy: -174.493
where: short stacking energy: -88.848
Base-Backbone interact. energy: 1.012
local terms energy: -91.505340
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -262.356152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.356152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.356152 (E_RNA)
where:
Base-Base interactions energy: -164.901
where: short stacking energy: -87.429
Base-Backbone interact. energy: 0.423
local terms energy: -97.878185
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -24.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -220.182729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.182729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.182729 (E_RNA)
where:
Base-Base interactions energy: -130.825
where: short stacking energy: -66.998
Base-Backbone interact. energy: -0.741
local terms energy: -88.616472
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -121.575854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.575854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.575854 (E_RNA)
where:
Base-Base interactions energy: -56.994
where: short stacking energy: -41.030
Base-Backbone interact. energy: -0.116
local terms energy: -64.465760
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -106.507434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.507434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.507434 (E_RNA)
where:
Base-Base interactions energy: -48.379
where: short stacking energy: -42.776
Base-Backbone interact. energy: -1.388
local terms energy: -56.740292
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -103.000903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.000903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.000903 (E_RNA)
where:
Base-Base interactions energy: -34.139
where: short stacking energy: -28.622
Base-Backbone interact. energy: 1.473
local terms energy: -70.334334
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -14.399
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: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -346.219055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.219055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.219055 (E_RNA)
where:
Base-Base interactions energy: -234.725
where: short stacking energy: -103.934
Base-Backbone interact. energy: -0.019
local terms energy: -111.475325
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -34.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -338.694977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.694977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.694977 (E_RNA)
where:
Base-Base interactions energy: -229.321
where: short stacking energy: -105.930
Base-Backbone interact. energy: -0.239
local terms energy: -109.134734
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -33.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -337.676019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.676019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.676019 (E_RNA)
where:
Base-Base interactions energy: -224.702
where: short stacking energy: -99.404
Base-Backbone interact. energy: -2.003
local terms energy: -110.971089
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -31.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -321.873153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.873153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.873153 (E_RNA)
where:
Base-Base interactions energy: -209.182
where: short stacking energy: -90.026
Base-Backbone interact. energy: -1.138
local terms energy: -111.553097
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -20.357
tors. eta vs tors. theta energy: -26.817
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: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -276.918948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.918948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.918948 (E_RNA)
where:
Base-Base interactions energy: -170.111
where: short stacking energy: -89.071
Base-Backbone interact. energy: -0.089
local terms energy: -106.718638
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -27.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -253.794342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.794342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.794342 (E_RNA)
where:
Base-Base interactions energy: -165.431
where: short stacking energy: -84.371
Base-Backbone interact. energy: -0.003
local terms energy: -88.360581
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -24.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -242.873620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.873620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.873620 (E_RNA)
where:
Base-Base interactions energy: -161.447
where: short stacking energy: -82.224
Base-Backbone interact. energy: 0.231
local terms energy: -81.657906
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -24.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -112.521030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.521030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.521030 (E_RNA)
where:
Base-Base interactions energy: -37.563
where: short stacking energy: -35.611
Base-Backbone interact. energy: -0.178
local terms energy: -74.779667
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -114.510478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.510478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.510478 (E_RNA)
where:
Base-Base interactions energy: -47.770
where: short stacking energy: -46.254
Base-Backbone interact. energy: -0.525
local terms energy: -66.215382
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -92.681952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.681952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.681952 (E_RNA)
where:
Base-Base interactions energy: -32.290
where: short stacking energy: -23.525
Base-Backbone interact. energy: -0.288
local terms energy: -60.104826
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -1.540
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: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -353.948339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.948339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.948339 (E_RNA)
where:
Base-Base interactions energy: -240.838
where: short stacking energy: -109.404
Base-Backbone interact. energy: -0.001
local terms energy: -113.109137
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -33.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -340.334621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.334621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.334621 (E_RNA)
where:
Base-Base interactions energy: -222.188
where: short stacking energy: -94.738
Base-Backbone interact. energy: -1.094
local terms energy: -117.052369
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -31.815
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: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -329.454085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.454085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.454085 (E_RNA)
where:
Base-Base interactions energy: -222.717
where: short stacking energy: -94.286
Base-Backbone interact. energy: -1.147
local terms energy: -105.589424
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -29.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -328.901288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.901288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.901288 (E_RNA)
where:
Base-Base interactions energy: -221.289
where: short stacking energy: -99.919
Base-Backbone interact. energy: -0.606
local terms energy: -107.006125
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -22.462
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -28.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -281.304707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.304707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.304707 (E_RNA)
where:
Base-Base interactions energy: -186.105
where: short stacking energy: -94.242
Base-Backbone interact. energy: -0.345
local terms energy: -94.854816
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -23.544
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -25.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -257.228001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.228001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.228001 (E_RNA)
where:
Base-Base interactions energy: -162.276
where: short stacking energy: -80.296
Base-Backbone interact. energy: -0.897
local terms energy: -94.055233
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -21.680
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: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -245.529905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.529905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.529905 (E_RNA)
where:
Base-Base interactions energy: -157.852
where: short stacking energy: -76.248
Base-Backbone interact. energy: -0.550
local terms energy: -87.128009
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -18.522
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: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -127.122074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.122074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.122074 (E_RNA)
where:
Base-Base interactions energy: -55.101
where: short stacking energy: -45.525
Base-Backbone interact. energy: -0.163
local terms energy: -71.857451
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -99.007233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.007233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.007233 (E_RNA)
where:
Base-Base interactions energy: -40.942
where: short stacking energy: -33.105
Base-Backbone interact. energy: -0.688
local terms energy: -57.377977
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: 2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -94.987359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.987359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.987359 (E_RNA)
where:
Base-Base interactions energy: -33.345
where: short stacking energy: -27.923
Base-Backbone interact. energy: -0.266
local terms energy: -61.376881
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: 3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -343.826117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.826117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.826117 (E_RNA)
where:
Base-Base interactions energy: -233.383
where: short stacking energy: -98.851
Base-Backbone interact. energy: -0.620
local terms energy: -109.823050
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -25.757
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -31.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -341.784818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.784818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.784818 (E_RNA)
where:
Base-Base interactions energy: -226.427
where: short stacking energy: -104.288
Base-Backbone interact. energy: -0.560
local terms energy: -114.797661
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -34.000
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: 286
Temperature: 1.000000
Total energy: -323.395300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.395300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.395300 (E_RNA)
where:
Base-Base interactions energy: -215.200
where: short stacking energy: -86.256
Base-Backbone interact. energy: -0.365
local terms energy: -107.829989
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -31.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -328.952459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.952459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.952459 (E_RNA)
where:
Base-Base interactions energy: -226.542
where: short stacking energy: -104.600
Base-Backbone interact. energy: 0.229
local terms energy: -102.639064
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -30.381
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: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -275.511701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.511701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.511701 (E_RNA)
where:
Base-Base interactions energy: -162.965
where: short stacking energy: -87.335
Base-Backbone interact. energy: -0.579
local terms energy: -111.967199
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -24.921
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: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -251.525028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.525028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.525028 (E_RNA)
where:
Base-Base interactions energy: -164.782
where: short stacking energy: -82.359
Base-Backbone interact. energy: -0.095
local terms energy: -86.648325
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -13.852
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: 7, replica: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -241.195162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.195162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.195162 (E_RNA)
where:
Base-Base interactions energy: -146.683
where: short stacking energy: -68.877
Base-Backbone interact. energy: -1.545
local terms energy: -92.967493
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -23.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -114.162838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.162838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.162838 (E_RNA)
where:
Base-Base interactions energy: -45.499
where: short stacking energy: -28.340
Base-Backbone interact. energy: -0.111
local terms energy: -68.552872
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: 1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -105.348858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.348858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.348858 (E_RNA)
where:
Base-Base interactions energy: -40.762
where: short stacking energy: -30.972
Base-Backbone interact. energy: -0.220
local terms energy: -64.366669
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -103.460732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.460732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.460732 (E_RNA)
where:
Base-Base interactions energy: -38.070
where: short stacking energy: -32.614
Base-Backbone interact. energy: 2.080
local terms energy: -67.470374
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -341.767347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.767347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.767347 (E_RNA)
where:
Base-Base interactions energy: -224.120
where: short stacking energy: -95.398
Base-Backbone interact. energy: -0.943
local terms energy: -116.704394
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -29.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -339.001553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.001553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.001553 (E_RNA)
where:
Base-Base interactions energy: -224.345
where: short stacking energy: -96.993
Base-Backbone interact. energy: -0.022
local terms energy: -114.634848
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -35.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -321.878293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.878293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.878293 (E_RNA)
where:
Base-Base interactions energy: -210.712
where: short stacking energy: -99.387
Base-Backbone interact. energy: 0.631
local terms energy: -111.797110
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -31.255
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: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -328.316158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.316158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.316158 (E_RNA)
where:
Base-Base interactions energy: -222.910
where: short stacking energy: -96.469
Base-Backbone interact. energy: -0.385
local terms energy: -105.021270
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -33.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -266.972488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.972488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.972488 (E_RNA)
where:
Base-Base interactions energy: -163.860
where: short stacking energy: -83.871
Base-Backbone interact. energy: -0.037
local terms energy: -103.075507
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -23.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -269.477003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.477003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.477003 (E_RNA)
where:
Base-Base interactions energy: -163.387
where: short stacking energy: -84.981
Base-Backbone interact. energy: -0.233
local terms energy: -105.856683
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -18.666
tors. eta vs tors. theta energy: -24.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -253.752517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.752517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.752517 (E_RNA)
where:
Base-Base interactions energy: -161.872
where: short stacking energy: -81.098
Base-Backbone interact. energy: -0.359
local terms energy: -91.521775
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -114.643881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.643881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.643881 (E_RNA)
where:
Base-Base interactions energy: -45.275
where: short stacking energy: -45.275
Base-Backbone interact. energy: 1.413
local terms energy: -70.781277
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -10.472
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: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -112.257075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.257075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.257075 (E_RNA)
where:
Base-Base interactions energy: -44.349
where: short stacking energy: -44.349
Base-Backbone interact. energy: -0.573
local terms energy: -67.334794
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -3.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -117.509767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.509767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.509767 (E_RNA)
where:
Base-Base interactions energy: -55.346
where: short stacking energy: -41.419
Base-Backbone interact. energy: 2.540
local terms energy: -64.703935
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -15.070
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: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -347.314724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.314724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.314724 (E_RNA)
where:
Base-Base interactions energy: -232.119
where: short stacking energy: -101.442
Base-Backbone interact. energy: -2.534
local terms energy: -112.661800
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -33.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -324.325457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.325457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.325457 (E_RNA)
where:
Base-Base interactions energy: -222.076
where: short stacking energy: -93.607
Base-Backbone interact. energy: -0.008
local terms energy: -102.242047
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -30.730
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: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -337.947504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.947504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.947504 (E_RNA)
where:
Base-Base interactions energy: -225.678
where: short stacking energy: -96.390
Base-Backbone interact. energy: -0.025
local terms energy: -112.243904
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -31.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -325.387700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.387700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.387700 (E_RNA)
where:
Base-Base interactions energy: -218.400
where: short stacking energy: -94.885
Base-Backbone interact. energy: -0.745
local terms energy: -106.242970
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -30.199
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: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -266.150882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.150882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.150882 (E_RNA)
where:
Base-Base interactions energy: -167.853
where: short stacking energy: -81.646
Base-Backbone interact. energy: -1.283
local terms energy: -97.014204
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -25.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -261.457802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.457802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.457802 (E_RNA)
where:
Base-Base interactions energy: -164.405
where: short stacking energy: -72.110
Base-Backbone interact. energy: -0.270
local terms energy: -96.783040
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -25.855
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: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -256.210480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.210480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.210480 (E_RNA)
where:
Base-Base interactions energy: -167.585
where: short stacking energy: -79.018
Base-Backbone interact. energy: 0.842
local terms energy: -89.467384
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -22.546
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: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -113.419921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.419921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.419921 (E_RNA)
where:
Base-Base interactions energy: -41.992
where: short stacking energy: -36.514
Base-Backbone interact. energy: 1.345
local terms energy: -72.773103
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -121.965051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.965051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.965051 (E_RNA)
where:
Base-Base interactions energy: -53.359
where: short stacking energy: -40.972
Base-Backbone interact. energy: 1.653
local terms energy: -70.259144
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -22.261
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -108.510599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.510599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.510599 (E_RNA)
where:
Base-Base interactions energy: -34.853
where: short stacking energy: -34.853
Base-Backbone interact. energy: 1.148
local terms energy: -74.806222
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -350.070054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.070054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.070054 (E_RNA)
where:
Base-Base interactions energy: -236.998
where: short stacking energy: -100.200
Base-Backbone interact. energy: -1.678
local terms energy: -111.393979
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -32.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -336.362614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.362614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.362614 (E_RNA)
where:
Base-Base interactions energy: -229.030
where: short stacking energy: -104.679
Base-Backbone interact. energy: -0.349
local terms energy: -106.983616
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -34.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -319.206753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.206753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.206753 (E_RNA)
where:
Base-Base interactions energy: -211.841
where: short stacking energy: -92.391
Base-Backbone interact. energy: -0.874
local terms energy: -106.492134
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -22.547
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -29.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -327.952476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.952476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.952476 (E_RNA)
where:
Base-Base interactions energy: -223.353
where: short stacking energy: -103.341
Base-Backbone interact. energy: -0.029
local terms energy: -104.571001
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -32.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -267.994383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.994383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.994383 (E_RNA)
where:
Base-Base interactions energy: -174.104
where: short stacking energy: -87.738
Base-Backbone interact. energy: -0.060
local terms energy: -93.830510
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -262.412151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.412151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.412151 (E_RNA)
where:
Base-Base interactions energy: -173.432
where: short stacking energy: -89.907
Base-Backbone interact. energy: -0.932
local terms energy: -88.047971
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -12.737
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: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -261.466905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.466905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.466905 (E_RNA)
where:
Base-Base interactions energy: -172.899
where: short stacking energy: -85.253
Base-Backbone interact. energy: -0.668
local terms energy: -87.899341
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -126.328946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.328946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.328946 (E_RNA)
where:
Base-Base interactions energy: -47.638
where: short stacking energy: -47.446
Base-Backbone interact. energy: -0.987
local terms energy: -77.704512
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -109.493399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.493399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.493399 (E_RNA)
where:
Base-Base interactions energy: -37.084
where: short stacking energy: -35.836
Base-Backbone interact. energy: -1.103
local terms energy: -71.306594
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -8.742
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: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -118.395645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.395645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.395645 (E_RNA)
where:
Base-Base interactions energy: -45.532
where: short stacking energy: -36.991
Base-Backbone interact. energy: -0.022
local terms energy: -72.842350
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -22.203
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -12.272
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: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -348.911700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.911700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.911700 (E_RNA)
where:
Base-Base interactions energy: -231.063
where: short stacking energy: -96.636
Base-Backbone interact. energy: -3.567
local terms energy: -114.281298
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -31.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -337.750343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.750343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.750343 (E_RNA)
where:
Base-Base interactions energy: -225.133
where: short stacking energy: -105.703
Base-Backbone interact. energy: -0.724
local terms energy: -111.893207
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -33.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -327.167773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.167773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.167773 (E_RNA)
where:
Base-Base interactions energy: -221.812
where: short stacking energy: -92.000
Base-Backbone interact. energy: -0.019
local terms energy: -105.337060
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -29.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -317.341797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.341797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.341797 (E_RNA)
where:
Base-Base interactions energy: -216.247
where: short stacking energy: -97.102
Base-Backbone interact. energy: -1.273
local terms energy: -99.820823
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -31.392
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: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -271.780092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.780092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.780092 (E_RNA)
where:
Base-Base interactions energy: -178.364
where: short stacking energy: -84.730
Base-Backbone interact. energy: 0.946
local terms energy: -94.361724
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -21.223
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: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -260.884489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.884489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.884489 (E_RNA)
where:
Base-Base interactions energy: -171.605
where: short stacking energy: -87.999
Base-Backbone interact. energy: -0.001
local terms energy: -89.278443
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -251.981111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.981111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.981111 (E_RNA)
where:
Base-Base interactions energy: -165.724
where: short stacking energy: -85.564
Base-Backbone interact. energy: -0.622
local terms energy: -85.635546
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -21.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -119.584823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.584823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.584823 (E_RNA)
where:
Base-Base interactions energy: -44.488
where: short stacking energy: -44.416
Base-Backbone interact. energy: 0.948
local terms energy: -76.045456
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -21.894
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -7.512
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: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -116.997562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.997562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.997562 (E_RNA)
where:
Base-Base interactions energy: -45.616
where: short stacking energy: -35.150
Base-Backbone interact. energy: -1.731
local terms energy: -69.650522
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -12.699
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: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -100.152135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.152135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.152135 (E_RNA)
where:
Base-Base interactions energy: -45.403
where: short stacking energy: -31.686
Base-Backbone interact. energy: -1.412
local terms energy: -53.337777
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -11.609
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: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -358.303573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.303573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.303573 (E_RNA)
where:
Base-Base interactions energy: -234.936
where: short stacking energy: -108.201
Base-Backbone interact. energy: -1.077
local terms energy: -122.290970
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -32.836
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: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -334.290312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.290312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.290312 (E_RNA)
where:
Base-Base interactions energy: -231.516
where: short stacking energy: -102.571
Base-Backbone interact. energy: -1.053
local terms energy: -101.721085
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -31.815
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: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -316.433086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.433086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.433086 (E_RNA)
where:
Base-Base interactions energy: -217.624
where: short stacking energy: -88.692
Base-Backbone interact. energy: -0.064
local terms energy: -98.745995
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -28.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -318.931582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.931582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.931582 (E_RNA)
where:
Base-Base interactions energy: -226.606
where: short stacking energy: -89.270
Base-Backbone interact. energy: -0.954
local terms energy: -91.371351
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -27.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -249.135839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.135839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.135839 (E_RNA)
where:
Base-Base interactions energy: -159.186
where: short stacking energy: -80.464
Base-Backbone interact. energy: -0.838
local terms energy: -89.111471
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -19.284
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: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -260.667943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.667943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.667943 (E_RNA)
where:
Base-Base interactions energy: -159.903
where: short stacking energy: -80.178
Base-Backbone interact. energy: -0.065
local terms energy: -100.699730
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -28.026
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: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -237.119384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.119384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.119384 (E_RNA)
where:
Base-Base interactions energy: -156.228
where: short stacking energy: -67.459
Base-Backbone interact. energy: -0.474
local terms energy: -80.417279
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -109.893085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.893085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.893085 (E_RNA)
where:
Base-Base interactions energy: -39.624
where: short stacking energy: -39.624
Base-Backbone interact. energy: -1.109
local terms energy: -69.159558
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -23.802
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -105.401002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.401002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.401002 (E_RNA)
where:
Base-Base interactions energy: -41.524
where: short stacking energy: -28.517
Base-Backbone interact. energy: 0.374
local terms energy: -64.250474
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: 2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -101.071954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.071954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.071954 (E_RNA)
where:
Base-Base interactions energy: -37.156
where: short stacking energy: -35.082
Base-Backbone interact. energy: -0.207
local terms energy: -63.709590
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -340.358308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.358308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.358308 (E_RNA)
where:
Base-Base interactions energy: -230.849
where: short stacking energy: -100.888
Base-Backbone interact. energy: -1.736
local terms energy: -107.772942
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -30.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -340.150285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.150285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.150285 (E_RNA)
where:
Base-Base interactions energy: -230.776
where: short stacking energy: -105.321
Base-Backbone interact. energy: -0.938
local terms energy: -108.436518
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -31.511
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: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -311.359099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.359099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.359099 (E_RNA)
where:
Base-Base interactions energy: -207.070
where: short stacking energy: -83.298
Base-Backbone interact. energy: -1.157
local terms energy: -103.132103
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -24.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -327.135164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.135164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.135164 (E_RNA)
where:
Base-Base interactions energy: -218.783
where: short stacking energy: -98.070
Base-Backbone interact. energy: -0.648
local terms energy: -107.703941
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -31.747
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: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -268.296943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.296943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.296943 (E_RNA)
where:
Base-Base interactions energy: -165.985
where: short stacking energy: -81.487
Base-Backbone interact. energy: 0.776
local terms energy: -103.088327
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -18.707
tors. eta vs tors. theta energy: -22.028
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: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -253.174668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.174668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.174668 (E_RNA)
where:
Base-Base interactions energy: -161.959
where: short stacking energy: -79.313
Base-Backbone interact. energy: -0.700
local terms energy: -90.516038
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -258.852657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.852657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.852657 (E_RNA)
where:
Base-Base interactions energy: -165.118
where: short stacking energy: -83.745
Base-Backbone interact. energy: -0.626
local terms energy: -93.109131
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -125.090463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.090463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.090463 (E_RNA)
where:
Base-Base interactions energy: -53.697
where: short stacking energy: -52.272
Base-Backbone interact. energy: -0.445
local terms energy: -70.948295
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -7.614
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: 292
Temperature: 1.300000
Total energy: -115.384116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.384116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.384116 (E_RNA)
where:
Base-Base interactions energy: -50.479
where: short stacking energy: -40.084
Base-Backbone interact. energy: 0.289
local terms energy: -65.193594
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -98.711126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.711126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.711126 (E_RNA)
where:
Base-Base interactions energy: -41.657
where: short stacking energy: -28.748
Base-Backbone interact. energy: -0.877
local terms energy: -56.176880
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -345.472161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.472161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.472161 (E_RNA)
where:
Base-Base interactions energy: -237.867
where: short stacking energy: -105.603
Base-Backbone interact. energy: -0.506
local terms energy: -107.099440
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -34.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -334.340432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.340432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.340432 (E_RNA)
where:
Base-Base interactions energy: -224.146
where: short stacking energy: -94.358
Base-Backbone interact. energy: -0.029
local terms energy: -110.165577
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -29.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -334.069331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.069331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.069331 (E_RNA)
where:
Base-Base interactions energy: -222.902
where: short stacking energy: -97.846
Base-Backbone interact. energy: -0.512
local terms energy: -110.656020
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -33.155
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: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -336.700831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.700831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.700831 (E_RNA)
where:
Base-Base interactions energy: -225.729
where: short stacking energy: -96.216
Base-Backbone interact. energy: -1.071
local terms energy: -109.901127
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -31.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -265.117195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.117195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.117195 (E_RNA)
where:
Base-Base interactions energy: -162.340
where: short stacking energy: -75.681
Base-Backbone interact. energy: -1.150
local terms energy: -101.626617
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -24.146
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -23.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -255.643389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.643389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.643389 (E_RNA)
where:
Base-Base interactions energy: -162.226
where: short stacking energy: -82.514
Base-Backbone interact. energy: -0.306
local terms energy: -93.111453
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -23.036
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: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -237.796941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.796941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.796941 (E_RNA)
where:
Base-Base interactions energy: -143.181
where: short stacking energy: -74.099
Base-Backbone interact. energy: -0.109
local terms energy: -94.506648
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -13.185
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: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -107.062695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.062695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.062695 (E_RNA)
where:
Base-Base interactions energy: -35.368
where: short stacking energy: -34.364
Base-Backbone interact. energy: 0.612
local terms energy: -72.306636
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -106.702368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.702368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.702368 (E_RNA)
where:
Base-Base interactions energy: -44.469
where: short stacking energy: -40.584
Base-Backbone interact. energy: -0.094
local terms energy: -62.138678
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: 1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -98.519465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.519465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.519465 (E_RNA)
where:
Base-Base interactions energy: -36.953
where: short stacking energy: -36.026
Base-Backbone interact. energy: -0.253
local terms energy: -61.312888
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -346.221194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.221194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.221194 (E_RNA)
where:
Base-Base interactions energy: -227.865
where: short stacking energy: -96.854
Base-Backbone interact. energy: -0.843
local terms energy: -117.513239
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -25.072
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -33.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -344.423248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.423248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.423248 (E_RNA)
where:
Base-Base interactions energy: -234.596
where: short stacking energy: -102.256
Base-Backbone interact. energy: -1.243
local terms energy: -108.584082
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -31.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -332.378379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.378379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.378379 (E_RNA)
where:
Base-Base interactions energy: -223.962
where: short stacking energy: -107.085
Base-Backbone interact. energy: -1.476
local terms energy: -106.940197
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -31.160
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: 10
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -318.247487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.247487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.247487 (E_RNA)
where:
Base-Base interactions energy: -210.849
where: short stacking energy: -83.380
Base-Backbone interact. energy: -0.981
local terms energy: -106.417704
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -28.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -268.139359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.139359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.139359 (E_RNA)
where:
Base-Base interactions energy: -163.347
where: short stacking energy: -81.644
Base-Backbone interact. energy: -0.151
local terms energy: -104.641434
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -23.548
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: 294
Temperature: 1.150000
Total energy: -255.446898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.446898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.446898 (E_RNA)
where:
Base-Base interactions energy: -164.532
where: short stacking energy: -76.352
Base-Backbone interact. energy: -0.218
local terms energy: -90.697065
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -268.347198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.347198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.347198 (E_RNA)
where:
Base-Base interactions energy: -178.264
where: short stacking energy: -87.568
Base-Backbone interact. energy: -0.092
local terms energy: -89.990583
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -113.494819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.494819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.494819 (E_RNA)
where:
Base-Base interactions energy: -48.263
where: short stacking energy: -47.792
Base-Backbone interact. energy: 0.039
local terms energy: -65.270633
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -112.722109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.722109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.722109 (E_RNA)
where:
Base-Base interactions energy: -50.416
where: short stacking energy: -39.057
Base-Backbone interact. energy: -0.194
local terms energy: -62.111914
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: 0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -116.042620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.042620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.042620 (E_RNA)
where:
Base-Base interactions energy: -49.505
where: short stacking energy: -41.792
Base-Backbone interact. energy: -0.107
local terms energy: -66.430757
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -10.351
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: 1, replica: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -336.848970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.848970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.848970 (E_RNA)
where:
Base-Base interactions energy: -224.033
where: short stacking energy: -98.055
Base-Backbone interact. energy: -0.001
local terms energy: -112.815287
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -32.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -331.710709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.710709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.710709 (E_RNA)
where:
Base-Base interactions energy: -217.367
where: short stacking energy: -95.121
Base-Backbone interact. energy: -1.834
local terms energy: -112.509366
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -32.718
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: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -336.135627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.135627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.135627 (E_RNA)
where:
Base-Base interactions energy: -219.509
where: short stacking energy: -99.674
Base-Backbone interact. energy: -0.439
local terms energy: -116.187470
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: -32.917
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: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -327.338618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.338618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.338618 (E_RNA)
where:
Base-Base interactions energy: -218.576
where: short stacking energy: -98.084
Base-Backbone interact. energy: -1.944
local terms energy: -106.819040
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -32.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -270.275405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.275405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.275405 (E_RNA)
where:
Base-Base interactions energy: -181.387
where: short stacking energy: -76.563
Base-Backbone interact. energy: -1.123
local terms energy: -87.765755
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -265.858490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.858490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.858490 (E_RNA)
where:
Base-Base interactions energy: -175.069
where: short stacking energy: -78.627
Base-Backbone interact. energy: -0.189
local terms energy: -90.600457
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -22.425
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: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -253.719227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.719227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.719227 (E_RNA)
where:
Base-Base interactions energy: -161.939
where: short stacking energy: -88.569
Base-Backbone interact. energy: -0.515
local terms energy: -91.265932
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -22.602
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: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -134.132322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.132322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.132322 (E_RNA)
where:
Base-Base interactions energy: -58.874
where: short stacking energy: -48.132
Base-Backbone interact. energy: 0.544
local terms energy: -75.802710
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -99.694099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.694099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.694099 (E_RNA)
where:
Base-Base interactions energy: -26.067
where: short stacking energy: -23.675
Base-Backbone interact. energy: -0.161
local terms energy: -73.465341
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -23.289
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -94.281889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.281889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.281889 (E_RNA)
where:
Base-Base interactions energy: -21.496
where: short stacking energy: -21.298
Base-Backbone interact. energy: -0.031
local terms energy: -72.755096
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -343.821555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.821555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.821555 (E_RNA)
where:
Base-Base interactions energy: -230.165
where: short stacking energy: -98.698
Base-Backbone interact. energy: -0.637
local terms energy: -113.019799
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -32.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -339.513046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.513046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.513046 (E_RNA)
where:
Base-Base interactions energy: -227.961
where: short stacking energy: -97.672
Base-Backbone interact. energy: -1.259
local terms energy: -110.292249
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -28.332
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: 296
Temperature: 1.000000
Total energy: -335.435664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.435664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.435664 (E_RNA)
where:
Base-Base interactions energy: -218.277
where: short stacking energy: -97.857
Base-Backbone interact. energy: 0.494
local terms energy: -117.653484
where:
bonds (distance) C4'-P energy: -23.119
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -30.747
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: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -337.056348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.056348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.056348 (E_RNA)
where:
Base-Base interactions energy: -222.545
where: short stacking energy: -105.793
Base-Backbone interact. energy: 1.158
local terms energy: -115.670095
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -34.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -270.985993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.985993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.985993 (E_RNA)
where:
Base-Base interactions energy: -163.803
where: short stacking energy: -89.041
Base-Backbone interact. energy: -0.161
local terms energy: -107.021394
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -27.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -264.952141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.952141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.952141 (E_RNA)
where:
Base-Base interactions energy: -181.821
where: short stacking energy: -79.706
Base-Backbone interact. energy: -0.402
local terms energy: -82.729014
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -20.927
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: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -255.023088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.023088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.023088 (E_RNA)
where:
Base-Base interactions energy: -152.960
where: short stacking energy: -73.338
Base-Backbone interact. energy: -0.161
local terms energy: -101.902455
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -21.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -107.809100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.809100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.809100 (E_RNA)
where:
Base-Base interactions energy: -44.103
where: short stacking energy: -43.128
Base-Backbone interact. energy: -0.312
local terms energy: -63.394650
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -94.730223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.730223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.730223 (E_RNA)
where:
Base-Base interactions energy: -35.365
where: short stacking energy: -34.024
Base-Backbone interact. energy: -0.249
local terms energy: -59.116393
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -101.145233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.145233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.145233 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -33.877
Base-Backbone interact. energy: -0.137
local terms energy: -67.130628
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -347.176062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.176062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.176062 (E_RNA)
where:
Base-Base interactions energy: -227.331
where: short stacking energy: -106.097
Base-Backbone interact. energy: -0.289
local terms energy: -119.555879
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -35.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -339.732241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.732241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.732241 (E_RNA)
where:
Base-Base interactions energy: -224.795
where: short stacking energy: -100.307
Base-Backbone interact. energy: -0.694
local terms energy: -114.243477
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -22.703
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -18.667
tors. eta vs tors. theta energy: -30.380
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: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -329.885102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.885102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.885102 (E_RNA)
where:
Base-Base interactions energy: -229.055
where: short stacking energy: -101.499
Base-Backbone interact. energy: -0.634
local terms energy: -100.196833
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -30.330
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: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -332.826031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.826031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.826031 (E_RNA)
where:
Base-Base interactions energy: -224.391
where: short stacking energy: -94.322
Base-Backbone interact. energy: -0.039
local terms energy: -108.396531
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -31.332
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: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -269.347875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.347875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.347875 (E_RNA)
where:
Base-Base interactions energy: -170.157
where: short stacking energy: -80.150
Base-Backbone interact. energy: -0.313
local terms energy: -98.878088
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -23.360
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: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -262.758885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.758885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.758885 (E_RNA)
where:
Base-Base interactions energy: -176.964
where: short stacking energy: -82.613
Base-Backbone interact. energy: -0.505
local terms energy: -85.289371
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -222.516174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.516174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.516174 (E_RNA)
where:
Base-Base interactions energy: -153.810
where: short stacking energy: -77.368
Base-Backbone interact. energy: -0.211
local terms energy: -68.494903
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -14.668
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: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -126.221665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.221665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.221665 (E_RNA)
where:
Base-Base interactions energy: -45.762
where: short stacking energy: -45.762
Base-Backbone interact. energy: -0.516
local terms energy: -79.943704
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -7.320
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: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -105.393897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.393897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.393897 (E_RNA)
where:
Base-Base interactions energy: -41.025
where: short stacking energy: -41.025
Base-Backbone interact. energy: -0.208
local terms energy: -64.160263
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -12.202
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: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -99.891481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.891481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.891481 (E_RNA)
where:
Base-Base interactions energy: -31.176
where: short stacking energy: -24.898
Base-Backbone interact. energy: -0.255
local terms energy: -68.460190
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -351.482883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.482883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.482883 (E_RNA)
where:
Base-Base interactions energy: -242.292
where: short stacking energy: -109.248
Base-Backbone interact. energy: -0.609
local terms energy: -108.582248
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -33.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -334.461033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.461033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.461033 (E_RNA)
where:
Base-Base interactions energy: -221.082
where: short stacking energy: -97.354
Base-Backbone interact. energy: -1.063
local terms energy: -112.315574
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -33.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -335.961452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.961452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.961452 (E_RNA)
where:
Base-Base interactions energy: -234.410
where: short stacking energy: -104.049
Base-Backbone interact. energy: -0.008
local terms energy: -101.543674
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -27.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -325.869847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.869847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.869847 (E_RNA)
where:
Base-Base interactions energy: -225.744
where: short stacking energy: -105.138
Base-Backbone interact. energy: -1.444
local terms energy: -98.682028
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -34.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -260.801276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.801276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.801276 (E_RNA)
where:
Base-Base interactions energy: -170.208
where: short stacking energy: -84.375
Base-Backbone interact. energy: -0.289
local terms energy: -90.303870
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -22.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -278.976682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.976682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.976682 (E_RNA)
where:
Base-Base interactions energy: -180.983
where: short stacking energy: -92.669
Base-Backbone interact. energy: -0.054
local terms energy: -97.939259
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -25.328
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: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -242.656037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.656037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.656037 (E_RNA)
where:
Base-Base interactions energy: -152.986
where: short stacking energy: -75.942
Base-Backbone interact. energy: -0.574
local terms energy: -89.096092
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -106.360452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.360452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.360452 (E_RNA)
where:
Base-Base interactions energy: -39.421
where: short stacking energy: -30.204
Base-Backbone interact. energy: -0.249
local terms energy: -66.690807
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -8.995
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: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -113.557500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.557500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.557500 (E_RNA)
where:
Base-Base interactions energy: -46.900
where: short stacking energy: -45.882
Base-Backbone interact. energy: -0.143
local terms energy: -66.514879
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: 2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -121.970807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.970807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.970807 (E_RNA)
where:
Base-Base interactions energy: -60.366
where: short stacking energy: -38.429
Base-Backbone interact. energy: -0.229
local terms energy: -61.375756
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: 0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -353.416869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.416869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.416869 (E_RNA)
where:
Base-Base interactions energy: -239.118
where: short stacking energy: -104.879
Base-Backbone interact. energy: -1.516
local terms energy: -112.782717
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -23.438
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -33.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -341.353627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.353627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.353627 (E_RNA)
where:
Base-Base interactions energy: -230.490
where: short stacking energy: -102.610
Base-Backbone interact. energy: -0.411
local terms energy: -110.452742
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -32.327
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: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -333.876959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.876959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.876959 (E_RNA)
where:
Base-Base interactions energy: -222.998
where: short stacking energy: -100.517
Base-Backbone interact. energy: -0.590
local terms energy: -110.289599
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -31.513
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: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -320.547131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.547131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.547131 (E_RNA)
where:
Base-Base interactions energy: -220.107
where: short stacking energy: -94.142
Base-Backbone interact. energy: -0.651
local terms energy: -99.789188
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -26.927
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: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -261.783366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.783366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.783366 (E_RNA)
where:
Base-Base interactions energy: -161.361
where: short stacking energy: -84.440
Base-Backbone interact. energy: -0.121
local terms energy: -100.301673
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -22.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -272.340689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.340689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.340689 (E_RNA)
where:
Base-Base interactions energy: -164.861
where: short stacking energy: -87.520
Base-Backbone interact. energy: -0.009
local terms energy: -107.471101
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -27.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -242.847044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.847044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.847044 (E_RNA)
where:
Base-Base interactions energy: -155.448
where: short stacking energy: -74.240
Base-Backbone interact. energy: 0.416
local terms energy: -87.815669
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -11.059
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: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -119.514388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.514388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.514388 (E_RNA)
where:
Base-Base interactions energy: -47.506
where: short stacking energy: -48.247
Base-Backbone interact. energy: -0.402
local terms energy: -71.606202
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -6.032
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: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -119.968722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.968722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.968722 (E_RNA)
where:
Base-Base interactions energy: -38.162
where: short stacking energy: -38.143
Base-Backbone interact. energy: 0.976
local terms energy: -82.782645
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -9.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -98.646826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.646826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.646826 (E_RNA)
where:
Base-Base interactions energy: -38.369
where: short stacking energy: -24.045
Base-Backbone interact. energy: -0.697
local terms energy: -59.580872
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: 0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -348.538732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.538732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.538732 (E_RNA)
where:
Base-Base interactions energy: -230.038
where: short stacking energy: -100.534
Base-Backbone interact. energy: -1.340
local terms energy: -117.160947
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -23.914
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -32.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -338.785819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.785819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.785819 (E_RNA)
where:
Base-Base interactions energy: -227.437
where: short stacking energy: -99.559
Base-Backbone interact. energy: -0.308
local terms energy: -111.040706
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -31.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -318.815457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.815457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.815457 (E_RNA)
where:
Base-Base interactions energy: -212.475
where: short stacking energy: -92.313
Base-Backbone interact. energy: -0.855
local terms energy: -105.485739
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -25.156
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -27.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -330.403196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.403196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.403196 (E_RNA)
where:
Base-Base interactions energy: -225.038
where: short stacking energy: -103.020
Base-Backbone interact. energy: -0.150
local terms energy: -105.214864
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -31.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -266.145341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.145341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.145341 (E_RNA)
where:
Base-Base interactions energy: -176.259
where: short stacking energy: -97.421
Base-Backbone interact. energy: -0.022
local terms energy: -89.865040
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -23.411
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: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -259.211097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.211097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.211097 (E_RNA)
where:
Base-Base interactions energy: -173.397
where: short stacking energy: -85.996
Base-Backbone interact. energy: -0.001
local terms energy: -85.813321
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -23.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -254.286355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.286355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.286355 (E_RNA)
where:
Base-Base interactions energy: -162.727
where: short stacking energy: -81.898
Base-Backbone interact. energy: -0.285
local terms energy: -91.274728
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -16.171
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: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -107.414942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.414942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.414942 (E_RNA)
where:
Base-Base interactions energy: -39.777
where: short stacking energy: -37.247
Base-Backbone interact. energy: -0.193
local terms energy: -67.444761
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -107.725906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.725906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.725906 (E_RNA)
where:
Base-Base interactions energy: -37.933
where: short stacking energy: -37.056
Base-Backbone interact. energy: -0.360
local terms energy: -69.433491
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -14.496
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: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -95.329119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.329119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.329119 (E_RNA)
where:
Base-Base interactions energy: -35.463
where: short stacking energy: -33.432
Base-Backbone interact. energy: 0.176
local terms energy: -60.042181
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -342.102588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.102588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.102588 (E_RNA)
where:
Base-Base interactions energy: -225.936
where: short stacking energy: -103.239
Base-Backbone interact. energy: -0.038
local terms energy: -116.128257
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -22.952
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -31.172
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: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -343.487736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.487736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.487736 (E_RNA)
where:
Base-Base interactions energy: -225.276
where: short stacking energy: -93.580
Base-Backbone interact. energy: -1.307
local terms energy: -116.904403
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -24.846
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -33.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -335.280142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.280142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.280142 (E_RNA)
where:
Base-Base interactions energy: -225.370
where: short stacking energy: -97.678
Base-Backbone interact. energy: -0.257
local terms energy: -109.652958
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -33.029
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: 301
Temperature: 1.050000
Total energy: -332.767673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.767673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.767673 (E_RNA)
where:
Base-Base interactions energy: -222.549
where: short stacking energy: -99.144
Base-Backbone interact. energy: -0.742
local terms energy: -109.477292
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -30.635
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: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -284.821959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.821959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.821959 (E_RNA)
where:
Base-Base interactions energy: -184.506
where: short stacking energy: -87.718
Base-Backbone interact. energy: -0.685
local terms energy: -99.631020
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -25.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -261.768129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.768129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.768129 (E_RNA)
where:
Base-Base interactions energy: -163.198
where: short stacking energy: -77.340
Base-Backbone interact. energy: -0.565
local terms energy: -98.005473
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -23.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -241.910074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.910074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.910074 (E_RNA)
where:
Base-Base interactions energy: -154.400
where: short stacking energy: -75.192
Base-Backbone interact. energy: -1.039
local terms energy: -86.471011
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -119.054653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.054653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.054653 (E_RNA)
where:
Base-Base interactions energy: -48.472
where: short stacking energy: -48.472
Base-Backbone interact. energy: -0.169
local terms energy: -70.413906
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -7.503
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -101.543306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.543306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.543306 (E_RNA)
where:
Base-Base interactions energy: -39.673
where: short stacking energy: -39.549
Base-Backbone interact. energy: -1.116
local terms energy: -60.754591
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -101.887888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.887888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.887888 (E_RNA)
where:
Base-Base interactions energy: -34.806
where: short stacking energy: -34.290
Base-Backbone interact. energy: -0.455
local terms energy: -66.626202
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -340.875691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.875691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.875691 (E_RNA)
where:
Base-Base interactions energy: -222.855
where: short stacking energy: -104.889
Base-Backbone interact. energy: -0.529
local terms energy: -117.491713
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -17.965
tors. eta vs tors. theta energy: -31.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -348.184910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.184910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.184910 (E_RNA)
where:
Base-Base interactions energy: -238.570
where: short stacking energy: -102.143
Base-Backbone interact. energy: -0.426
local terms energy: -109.188893
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -30.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -325.204214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.204214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.204214 (E_RNA)
where:
Base-Base interactions energy: -225.227
where: short stacking energy: -98.374
Base-Backbone interact. energy: -0.598
local terms energy: -99.379188
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -27.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -325.206353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.206353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.206353 (E_RNA)
where:
Base-Base interactions energy: -216.054
where: short stacking energy: -92.519
Base-Backbone interact. energy: -0.787
local terms energy: -108.365185
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -29.495
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: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -273.540036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.540036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.540036 (E_RNA)
where:
Base-Base interactions energy: -167.051
where: short stacking energy: -92.238
Base-Backbone interact. energy: -0.014
local terms energy: -106.474148
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -28.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -270.561264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.561264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.561264 (E_RNA)
where:
Base-Base interactions energy: -176.011
where: short stacking energy: -94.126
Base-Backbone interact. energy: -0.878
local terms energy: -93.672989
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -27.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -265.427607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.427607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.427607 (E_RNA)
where:
Base-Base interactions energy: -167.235
where: short stacking energy: -82.046
Base-Backbone interact. energy: -0.702
local terms energy: -97.491248
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -25.381
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: 302
Temperature: 1.250000
Total energy: -104.971863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.971863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.971863 (E_RNA)
where:
Base-Base interactions energy: -34.067
where: short stacking energy: -34.067
Base-Backbone interact. energy: -0.230
local terms energy: -70.675132
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -2.070
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -112.727307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.727307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.727307 (E_RNA)
where:
Base-Base interactions energy: -51.667
where: short stacking energy: -28.840
Base-Backbone interact. energy: 1.164
local terms energy: -62.225147
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -108.889757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.889757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.889757 (E_RNA)
where:
Base-Base interactions energy: -40.133
where: short stacking energy: -38.863
Base-Backbone interact. energy: -0.611
local terms energy: -68.145444
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -337.517180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.517180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.517180 (E_RNA)
where:
Base-Base interactions energy: -221.811
where: short stacking energy: -92.376
Base-Backbone interact. energy: -0.856
local terms energy: -114.850616
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -27.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -342.728847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.728847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.728847 (E_RNA)
where:
Base-Base interactions energy: -232.652
where: short stacking energy: -89.633
Base-Backbone interact. energy: -1.125
local terms energy: -108.951706
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -23.482
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -31.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -331.732434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.732434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.732434 (E_RNA)
where:
Base-Base interactions energy: -222.481
where: short stacking energy: -87.695
Base-Backbone interact. energy: -1.108
local terms energy: -108.142575
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -30.141
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: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -320.799703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.799703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.799703 (E_RNA)
where:
Base-Base interactions energy: -212.592
where: short stacking energy: -91.574
Base-Backbone interact. energy: -0.564
local terms energy: -107.643986
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -27.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -256.321588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.321588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.321588 (E_RNA)
where:
Base-Base interactions energy: -167.438
where: short stacking energy: -79.996
Base-Backbone interact. energy: -0.154
local terms energy: -88.729526
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -264.528584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.528584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.528584 (E_RNA)
where:
Base-Base interactions energy: -166.910
where: short stacking energy: -83.392
Base-Backbone interact. energy: -0.243
local terms energy: -97.375627
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -24.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -223.789196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.789196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.789196 (E_RNA)
where:
Base-Base interactions energy: -140.867
where: short stacking energy: -70.753
Base-Backbone interact. energy: -0.025
local terms energy: -82.897246
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -114.991881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.991881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.991881 (E_RNA)
where:
Base-Base interactions energy: -43.676
where: short stacking energy: -37.728
Base-Backbone interact. energy: -0.367
local terms energy: -70.948883
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -127.897800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.897800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.897800 (E_RNA)
where:
Base-Base interactions energy: -55.284
where: short stacking energy: -41.159
Base-Backbone interact. energy: -0.109
local terms energy: -72.504318
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -94.759263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.759263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.759263 (E_RNA)
where:
Base-Base interactions energy: -37.226
where: short stacking energy: -32.486
Base-Backbone interact. energy: -0.080
local terms energy: -57.453161
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -340.652793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.652793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.652793 (E_RNA)
where:
Base-Base interactions energy: -225.221
where: short stacking energy: -98.572
Base-Backbone interact. energy: -1.277
local terms energy: -114.154900
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -33.288
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: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -333.787054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.787054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.787054 (E_RNA)
where:
Base-Base interactions energy: -226.609
where: short stacking energy: -109.914
Base-Backbone interact. energy: -0.534
local terms energy: -106.644095
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -31.151
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: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -327.751456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.751456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.751456 (E_RNA)
where:
Base-Base interactions energy: -218.843
where: short stacking energy: -99.843
Base-Backbone interact. energy: -0.063
local terms energy: -108.845169
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -32.394
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: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -323.792250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.792250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.792250 (E_RNA)
where:
Base-Base interactions energy: -220.816
where: short stacking energy: -90.477
Base-Backbone interact. energy: -0.503
local terms energy: -102.473428
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -29.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -262.939758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.939758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.939758 (E_RNA)
where:
Base-Base interactions energy: -164.251
where: short stacking energy: -84.072
Base-Backbone interact. energy: -0.135
local terms energy: -98.553465
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -22.128
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: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -261.458983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.458983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.458983 (E_RNA)
where:
Base-Base interactions energy: -167.568
where: short stacking energy: -75.458
Base-Backbone interact. energy: -1.584
local terms energy: -92.306635
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -137.898468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.898468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.898468 (E_RNA)
where:
Base-Base interactions energy: -54.869
where: short stacking energy: -54.064
Base-Backbone interact. energy: 0.561
local terms energy: -83.590272
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -17.179
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: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -208.374026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.374026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.374026 (E_RNA)
where:
Base-Base interactions energy: -133.550
where: short stacking energy: -69.714
Base-Backbone interact. energy: -0.180
local terms energy: -74.644729
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -103.705216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.705216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.705216 (E_RNA)
where:
Base-Base interactions energy: -39.996
where: short stacking energy: -33.408
Base-Backbone interact. energy: -0.596
local terms energy: -63.113122
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -100.306820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.306820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.306820 (E_RNA)
where:
Base-Base interactions energy: -34.941
where: short stacking energy: -27.234
Base-Backbone interact. energy: -0.895
local terms energy: -64.469940
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -338.681252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.681252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.681252 (E_RNA)
where:
Base-Base interactions energy: -228.780
where: short stacking energy: -105.754
Base-Backbone interact. energy: -0.618
local terms energy: -109.283222
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -32.303
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: 305
Temperature: 0.950000
Total energy: -335.136973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.136973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.136973 (E_RNA)
where:
Base-Base interactions energy: -222.309
where: short stacking energy: -100.589
Base-Backbone interact. energy: -0.594
local terms energy: -112.234255
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -30.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -327.010380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.010380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.010380 (E_RNA)
where:
Base-Base interactions energy: -221.117
where: short stacking energy: -103.173
Base-Backbone interact. energy: -0.029
local terms energy: -105.864425
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -32.082
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: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -321.808434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.808434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.808434 (E_RNA)
where:
Base-Base interactions energy: -220.692
where: short stacking energy: -89.099
Base-Backbone interact. energy: -0.802
local terms energy: -100.313918
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -28.228
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: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -276.211723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.211723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.211723 (E_RNA)
where:
Base-Base interactions energy: -174.195
where: short stacking energy: -84.418
Base-Backbone interact. energy: 3.248
local terms energy: -105.264623
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -24.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -275.408569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.408569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.408569 (E_RNA)
where:
Base-Base interactions energy: -179.214
where: short stacking energy: -97.502
Base-Backbone interact. energy: -0.357
local terms energy: -95.837458
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -28.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -117.516595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.516595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.516595 (E_RNA)
where:
Base-Base interactions energy: -45.398
where: short stacking energy: -33.337
Base-Backbone interact. energy: 0.024
local terms energy: -72.143178
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: 0.013
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: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -254.129221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.129221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.129221 (E_RNA)
where:
Base-Base interactions energy: -164.289
where: short stacking energy: -82.206
Base-Backbone interact. energy: -0.281
local terms energy: -89.559242
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -22.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -98.909420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.909420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.909420 (E_RNA)
where:
Base-Base interactions energy: -32.551
where: short stacking energy: -32.551
Base-Backbone interact. energy: -0.477
local terms energy: -65.881667
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: 0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -107.270326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.270326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.270326 (E_RNA)
where:
Base-Base interactions energy: -47.788
where: short stacking energy: -43.089
Base-Backbone interact. energy: -1.501
local terms energy: -57.981620
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -349.580768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.580768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.580768 (E_RNA)
where:
Base-Base interactions energy: -236.499
where: short stacking energy: -101.236
Base-Backbone interact. energy: -1.682
local terms energy: -111.399473
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -31.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -332.128254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.128254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.128254 (E_RNA)
where:
Base-Base interactions energy: -221.360
where: short stacking energy: -93.665
Base-Backbone interact. energy: -2.165
local terms energy: -108.603074
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -21.591
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -30.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -331.091551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.091551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.091551 (E_RNA)
where:
Base-Base interactions energy: -227.039
where: short stacking energy: -92.983
Base-Backbone interact. energy: -0.386
local terms energy: -103.667403
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -28.129
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: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -321.682456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.682456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.682456 (E_RNA)
where:
Base-Base interactions energy: -211.646
where: short stacking energy: -92.118
Base-Backbone interact. energy: -0.893
local terms energy: -109.143181
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -32.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -262.768052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.768052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.768052 (E_RNA)
where:
Base-Base interactions energy: -173.610
where: short stacking energy: -83.229
Base-Backbone interact. energy: -1.041
local terms energy: -88.117141
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -21.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -248.683325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.683325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.683325 (E_RNA)
where:
Base-Base interactions energy: -160.856
where: short stacking energy: -78.721
Base-Backbone interact. energy: -0.006
local terms energy: -87.821357
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -16.673
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: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -251.780369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.780369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.780369 (E_RNA)
where:
Base-Base interactions energy: -168.346
where: short stacking energy: -88.255
Base-Backbone interact. energy: 0.504
local terms energy: -83.938427
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -115.214737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.214737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.214737 (E_RNA)
where:
Base-Base interactions energy: -53.511
where: short stacking energy: -51.734
Base-Backbone interact. energy: -0.142
local terms energy: -61.561912
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -11.518
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: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -110.057781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.057781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.057781 (E_RNA)
where:
Base-Base interactions energy: -36.290
where: short stacking energy: -36.290
Base-Backbone interact. energy: -0.668
local terms energy: -73.099839
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: 1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -104.876889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.876889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.876889 (E_RNA)
where:
Base-Base interactions energy: -44.733
where: short stacking energy: -32.670
Base-Backbone interact. energy: 1.508
local terms energy: -61.651351
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -346.141341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.141341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.141341 (E_RNA)
where:
Base-Base interactions energy: -234.037
where: short stacking energy: -95.446
Base-Backbone interact. energy: -0.300
local terms energy: -111.804879
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -32.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -338.086035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.086035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.086035 (E_RNA)
where:
Base-Base interactions energy: -226.296
where: short stacking energy: -102.386
Base-Backbone interact. energy: -0.293
local terms energy: -111.497184
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -33.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -332.173900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.173900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.173900 (E_RNA)
where:
Base-Base interactions energy: -222.365
where: short stacking energy: -94.305
Base-Backbone interact. energy: -0.576
local terms energy: -109.232383
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -27.676
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: 307
Temperature: 1.050000
Total energy: -328.798637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.798637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.798637 (E_RNA)
where:
Base-Base interactions energy: -225.199
where: short stacking energy: -93.541
Base-Backbone interact. energy: -1.185
local terms energy: -102.414561
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -30.712
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: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -262.324796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.324796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.324796 (E_RNA)
where:
Base-Base interactions energy: -171.517
where: short stacking energy: -88.773
Base-Backbone interact. energy: -1.386
local terms energy: -89.421970
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -22.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -262.180127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.180127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.180127 (E_RNA)
where:
Base-Base interactions energy: -168.763
where: short stacking energy: -79.614
Base-Backbone interact. energy: -0.261
local terms energy: -93.156074
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -250.932876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.932876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.932876 (E_RNA)
where:
Base-Base interactions energy: -158.108
where: short stacking energy: -85.683
Base-Backbone interact. energy: -0.071
local terms energy: -92.754293
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -24.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -140.580930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.580930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.580930 (E_RNA)
where:
Base-Base interactions energy: -69.738
where: short stacking energy: -39.975
Base-Backbone interact. energy: 0.262
local terms energy: -71.104536
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -96.099324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.099324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.099324 (E_RNA)
where:
Base-Base interactions energy: -31.991
where: short stacking energy: -31.991
Base-Backbone interact. energy: -0.420
local terms energy: -63.688119
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: 1.291
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: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -106.097353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.097353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.097353 (E_RNA)
where:
Base-Base interactions energy: -46.133
where: short stacking energy: -40.870
Base-Backbone interact. energy: -0.184
local terms energy: -59.780543
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -4.929
tors. eta vs tors. theta energy: 2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -343.590779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.590779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.590779 (E_RNA)
where:
Base-Base interactions energy: -228.698
where: short stacking energy: -112.101
Base-Backbone interact. energy: -0.045
local terms energy: -114.847932
where:
bonds (distance) C4'-P energy: -21.929
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -32.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -332.915053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.915053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.915053 (E_RNA)
where:
Base-Base interactions energy: -218.235
where: short stacking energy: -88.558
Base-Backbone interact. energy: -1.493
local terms energy: -113.187295
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -29.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -334.077241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.077241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.077241 (E_RNA)
where:
Base-Base interactions energy: -217.989
where: short stacking energy: -99.267
Base-Backbone interact. energy: -1.056
local terms energy: -115.031889
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -29.197
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: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -328.650189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.650189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.650189 (E_RNA)
where:
Base-Base interactions energy: -222.712
where: short stacking energy: -106.931
Base-Backbone interact. energy: -0.002
local terms energy: -105.936011
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -32.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -254.963819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.963819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.963819 (E_RNA)
where:
Base-Base interactions energy: -156.378
where: short stacking energy: -82.997
Base-Backbone interact. energy: -0.410
local terms energy: -98.175766
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -23.619
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -252.819944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.819944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.819944 (E_RNA)
where:
Base-Base interactions energy: -155.651
where: short stacking energy: -76.524
Base-Backbone interact. energy: 1.589
local terms energy: -98.757504
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -19.857
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: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -248.994486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.994486 (E_RNA)
where:
Base-Base interactions energy: -151.534
where: short stacking energy: -80.705
Base-Backbone interact. energy: -0.071
local terms energy: -97.389918
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -25.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -136.570717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.570717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.570717 (E_RNA)
where:
Base-Base interactions energy: -65.481
where: short stacking energy: -49.328
Base-Backbone interact. energy: 0.280
local terms energy: -71.369307
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -107.797054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.797054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.797054 (E_RNA)
where:
Base-Base interactions energy: -38.980
where: short stacking energy: -35.693
Base-Backbone interact. energy: -0.130
local terms energy: -68.687321
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -24.438
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -2.465
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: 308
Temperature: 1.350000
Total energy: -99.633399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.633399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.633399 (E_RNA)
where:
Base-Base interactions energy: -38.498
where: short stacking energy: -35.763
Base-Backbone interact. energy: -0.300
local terms energy: -60.835181
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -342.377422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.377422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.377422 (E_RNA)
where:
Base-Base interactions energy: -226.714
where: short stacking energy: -92.154
Base-Backbone interact. energy: -1.818
local terms energy: -113.845779
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -31.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -334.044729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.044729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.044729 (E_RNA)
where:
Base-Base interactions energy: -225.410
where: short stacking energy: -97.896
Base-Backbone interact. energy: -2.142
local terms energy: -106.492380
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -31.368
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: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -330.693416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.693416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.693416 (E_RNA)
where:
Base-Base interactions energy: -223.533
where: short stacking energy: -96.526
Base-Backbone interact. energy: -0.414
local terms energy: -106.745766
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -33.691
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: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -325.987910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.987910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.987910 (E_RNA)
where:
Base-Base interactions energy: -221.981
where: short stacking energy: -91.831
Base-Backbone interact. energy: -0.700
local terms energy: -103.307201
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -25.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -251.212971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.212971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.212971 (E_RNA)
where:
Base-Base interactions energy: -169.027
where: short stacking energy: -79.967
Base-Backbone interact. energy: -0.474
local terms energy: -81.711862
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -20.574
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -239.717816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.717816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.717816 (E_RNA)
where:
Base-Base interactions energy: -159.449
where: short stacking energy: -77.843
Base-Backbone interact. energy: -0.428
local terms energy: -79.840246
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -8.948
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: 7, replica: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -248.559760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.559760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.559760 (E_RNA)
where:
Base-Base interactions energy: -160.034
where: short stacking energy: -86.585
Base-Backbone interact. energy: -0.105
local terms energy: -88.420148
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -25.363
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: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -113.789790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.789790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.789790 (E_RNA)
where:
Base-Base interactions energy: -56.809
where: short stacking energy: -41.831
Base-Backbone interact. energy: -0.211
local terms energy: -56.769832
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -99.096935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.096935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.096935 (E_RNA)
where:
Base-Base interactions energy: -34.332
where: short stacking energy: -23.059
Base-Backbone interact. energy: -0.516
local terms energy: -64.249136
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: 6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -108.267778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.267778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.267778 (E_RNA)
where:
Base-Base interactions energy: -42.195
where: short stacking energy: -42.195
Base-Backbone interact. energy: 4.224
local terms energy: -70.296492
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -337.167843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.167843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.167843 (E_RNA)
where:
Base-Base interactions energy: -220.628
where: short stacking energy: -94.118
Base-Backbone interact. energy: -0.300
local terms energy: -116.239306
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -23.105
flat angles P-C4'-P energy: -18.505
tors. eta vs tors. theta energy: -30.820
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: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -329.869240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.869240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.869240 (E_RNA)
where:
Base-Base interactions energy: -217.378
where: short stacking energy: -92.783
Base-Backbone interact. energy: -0.527
local terms energy: -111.963477
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -24.582
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -28.220
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: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -336.578470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.578470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.578470 (E_RNA)
where:
Base-Base interactions energy: -226.460
where: short stacking energy: -91.229
Base-Backbone interact. energy: -0.876
local terms energy: -109.242305
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -30.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -313.502483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.502483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.502483 (E_RNA)
where:
Base-Base interactions energy: -209.993
where: short stacking energy: -90.401
Base-Backbone interact. energy: 0.014
local terms energy: -103.522797
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -26.910
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: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -279.376916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.376916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.376916 (E_RNA)
where:
Base-Base interactions energy: -182.473
where: short stacking energy: -98.545
Base-Backbone interact. energy: -0.072
local terms energy: -96.831984
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -24.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -257.088671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.088671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.088671 (E_RNA)
where:
Base-Base interactions energy: -161.763
where: short stacking energy: -73.921
Base-Backbone interact. energy: -0.960
local terms energy: -94.365856
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -22.459
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: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -242.825512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.825512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.825512 (E_RNA)
where:
Base-Base interactions energy: -157.855
where: short stacking energy: -75.992
Base-Backbone interact. energy: -0.240
local terms energy: -84.730061
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -113.330104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.330104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.330104 (E_RNA)
where:
Base-Base interactions energy: -51.391
where: short stacking energy: -44.802
Base-Backbone interact. energy: -0.315
local terms energy: -61.624139
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: 1.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -111.727060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.727060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.727060 (E_RNA)
where:
Base-Base interactions energy: -42.031
where: short stacking energy: -40.613
Base-Backbone interact. energy: -0.172
local terms energy: -69.524269
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -101.793152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.793152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.793152 (E_RNA)
where:
Base-Base interactions energy: -27.528
where: short stacking energy: -27.528
Base-Backbone interact. energy: 1.020
local terms energy: -75.284770
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -20.117
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -1.103
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: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -344.714552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.714552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.714552 (E_RNA)
where:
Base-Base interactions energy: -232.851
where: short stacking energy: -100.418
Base-Backbone interact. energy: -0.670
local terms energy: -111.193407
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -35.902
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: 311
Temperature: 0.950000
Total energy: -339.397577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.397577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.397577 (E_RNA)
where:
Base-Base interactions energy: -223.919
where: short stacking energy: -96.451
Base-Backbone interact. energy: -0.438
local terms energy: -115.041121
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -20.594
tors. eta vs tors. theta energy: -29.773
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: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -328.694376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.694376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.694376 (E_RNA)
where:
Base-Base interactions energy: -218.977
where: short stacking energy: -91.190
Base-Backbone interact. energy: -1.034
local terms energy: -108.683006
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -27.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -319.690142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.690142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.690142 (E_RNA)
where:
Base-Base interactions energy: -210.585
where: short stacking energy: -91.725
Base-Backbone interact. energy: -0.622
local terms energy: -108.482310
where:
bonds (distance) C4'-P energy: -20.143
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -25.875
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -30.762
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: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -244.574915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.574915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.574915 (E_RNA)
where:
Base-Base interactions energy: -157.310
where: short stacking energy: -73.204
Base-Backbone interact. energy: -0.509
local terms energy: -86.755611
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -265.259485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.259485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.259485 (E_RNA)
where:
Base-Base interactions energy: -167.911
where: short stacking energy: -85.484
Base-Backbone interact. energy: -0.068
local terms energy: -97.280806
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -23.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -225.471403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.471403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.471403 (E_RNA)
where:
Base-Base interactions energy: -138.248
where: short stacking energy: -73.015
Base-Backbone interact. energy: 0.330
local terms energy: -87.553387
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -110.372709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.372709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.372709 (E_RNA)
where:
Base-Base interactions energy: -42.002
where: short stacking energy: -17.819
Base-Backbone interact. energy: 2.575
local terms energy: -70.946365
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -14.164
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: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -117.001195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.001195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.001195 (E_RNA)
where:
Base-Base interactions energy: -50.364
where: short stacking energy: -50.364
Base-Backbone interact. energy: -0.389
local terms energy: -66.248947
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -100.524218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.524218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.524218 (E_RNA)
where:
Base-Base interactions energy: -36.347
where: short stacking energy: -34.165
Base-Backbone interact. energy: 0.153
local terms energy: -64.330015
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -342.142870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.142870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.142870 (E_RNA)
where:
Base-Base interactions energy: -226.753
where: short stacking energy: -98.822
Base-Backbone interact. energy: -1.350
local terms energy: -114.039174
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -24.740
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -32.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -342.986343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.986343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.986343 (E_RNA)
where:
Base-Base interactions energy: -227.771
where: short stacking energy: -101.361
Base-Backbone interact. energy: -2.082
local terms energy: -113.133378
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -32.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -338.225017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.225017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.225017 (E_RNA)
where:
Base-Base interactions energy: -230.637
where: short stacking energy: -107.040
Base-Backbone interact. energy: -0.753
local terms energy: -106.834923
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -33.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -304.320812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.320812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.320812 (E_RNA)
where:
Base-Base interactions energy: -206.892
where: short stacking energy: -88.720
Base-Backbone interact. energy: -0.203
local terms energy: -97.226160
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -264.095924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.095924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.095924 (E_RNA)
where:
Base-Base interactions energy: -167.255
where: short stacking energy: -82.567
Base-Backbone interact. energy: -0.010
local terms energy: -96.830769
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -17.593
tors. eta vs tors. theta energy: -23.291
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: 312
Temperature: 1.150000
Total energy: -249.268961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.268961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.268961 (E_RNA)
where:
Base-Base interactions energy: -167.658
where: short stacking energy: -77.467
Base-Backbone interact. energy: -0.083
local terms energy: -81.527581
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -23.891
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -245.877433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.877433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.877433 (E_RNA)
where:
Base-Base interactions energy: -152.030
where: short stacking energy: -82.655
Base-Backbone interact. energy: -0.080
local terms energy: -93.767794
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -23.893
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: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -110.783327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.783327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.783327 (E_RNA)
where:
Base-Base interactions energy: -49.558
where: short stacking energy: -39.826
Base-Backbone interact. energy: -0.326
local terms energy: -60.899468
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -119.137916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.137916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.137916 (E_RNA)
where:
Base-Base interactions energy: -46.891
where: short stacking energy: -33.284
Base-Backbone interact. energy: 1.382
local terms energy: -73.628889
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -8.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -109.834805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.834805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.834805 (E_RNA)
where:
Base-Base interactions energy: -45.736
where: short stacking energy: -32.711
Base-Backbone interact. energy: -1.782
local terms energy: -62.316018
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -343.371403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.371403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.371403 (E_RNA)
where:
Base-Base interactions energy: -223.742
where: short stacking energy: -100.376
Base-Backbone interact. energy: -0.111
local terms energy: -119.518187
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -34.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -342.102274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.102274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.102274 (E_RNA)
where:
Base-Base interactions energy: -225.583
where: short stacking energy: -103.952
Base-Backbone interact. energy: -1.498
local terms energy: -115.021510
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -33.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -330.461794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.461794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.461794 (E_RNA)
where:
Base-Base interactions energy: -221.311
where: short stacking energy: -99.982
Base-Backbone interact. energy: -0.015
local terms energy: -109.136245
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -32.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -268.469122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.469122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.469122 (E_RNA)
where:
Base-Base interactions energy: -168.235
where: short stacking energy: -84.545
Base-Backbone interact. energy: -0.032
local terms energy: -100.202043
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -23.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -306.806215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.806215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.806215 (E_RNA)
where:
Base-Base interactions energy: -204.240
where: short stacking energy: -93.389
Base-Backbone interact. energy: -0.961
local terms energy: -101.605217
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -29.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -264.081869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.081869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.081869 (E_RNA)
where:
Base-Base interactions energy: -164.754
where: short stacking energy: -83.261
Base-Backbone interact. energy: -0.022
local terms energy: -99.306086
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -254.677336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.677336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.677336 (E_RNA)
where:
Base-Base interactions energy: -166.384
where: short stacking energy: -89.720
Base-Backbone interact. energy: -0.089
local terms energy: -88.204423
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -21.275
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: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -118.875315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.875315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.875315 (E_RNA)
where:
Base-Base interactions energy: -52.107
where: short stacking energy: -45.567
Base-Backbone interact. energy: -0.131
local terms energy: -66.636987
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -119.343881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.343881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.343881 (E_RNA)
where:
Base-Base interactions energy: -63.654
where: short stacking energy: -42.869
Base-Backbone interact. energy: -1.029
local terms energy: -54.661072
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -8.035
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: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -116.207242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.207242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.207242 (E_RNA)
where:
Base-Base interactions energy: -59.654
where: short stacking energy: -34.411
Base-Backbone interact. energy: -0.279
local terms energy: -56.274079
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: 1.930
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -348.148864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.148864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.148864 (E_RNA)
where:
Base-Base interactions energy: -232.513
where: short stacking energy: -103.560
Base-Backbone interact. energy: -2.188
local terms energy: -113.448533
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -32.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -339.359051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.359051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.359051 (E_RNA)
where:
Base-Base interactions energy: -227.643
where: short stacking energy: -99.465
Base-Backbone interact. energy: -2.996
local terms energy: -108.720071
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: -31.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -330.694239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.694239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.694239 (E_RNA)
where:
Base-Base interactions energy: -221.828
where: short stacking energy: -100.087
Base-Backbone interact. energy: -1.450
local terms energy: -107.416057
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -24.583
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -30.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -279.822802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.822802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.822802 (E_RNA)
where:
Base-Base interactions energy: -174.788
where: short stacking energy: -84.652
Base-Backbone interact. energy: -0.460
local terms energy: -104.574845
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -23.338
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: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -305.710303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.710303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.710303 (E_RNA)
where:
Base-Base interactions energy: -211.850
where: short stacking energy: -89.448
Base-Backbone interact. energy: -0.004
local terms energy: -93.856180
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -26.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -258.560087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.560087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.560087 (E_RNA)
where:
Base-Base interactions energy: -172.885
where: short stacking energy: -74.789
Base-Backbone interact. energy: -0.114
local terms energy: -85.560958
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -259.604668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.604668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.604668 (E_RNA)
where:
Base-Base interactions energy: -168.776
where: short stacking energy: -77.414
Base-Backbone interact. energy: -0.732
local terms energy: -90.096129
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -23.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -113.596855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.596855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.596855 (E_RNA)
where:
Base-Base interactions energy: -48.464
where: short stacking energy: -41.170
Base-Backbone interact. energy: 1.254
local terms energy: -66.386915
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: 2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -120.264548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.264548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.264548 (E_RNA)
where:
Base-Base interactions energy: -51.352
where: short stacking energy: -39.231
Base-Backbone interact. energy: -0.306
local terms energy: -68.605866
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -12.386
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: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -106.344831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.344831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.344831 (E_RNA)
where:
Base-Base interactions energy: -43.476
where: short stacking energy: -41.286
Base-Backbone interact. energy: -0.379
local terms energy: -62.490601
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -5.825
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: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -342.993777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.993777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.993777 (E_RNA)
where:
Base-Base interactions energy: -227.934
where: short stacking energy: -97.753
Base-Backbone interact. energy: -0.900
local terms energy: -114.159961
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -32.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -339.800104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.800104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.800104 (E_RNA)
where:
Base-Base interactions energy: -227.990
where: short stacking energy: -105.839
Base-Backbone interact. energy: -0.911
local terms energy: -110.899291
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -29.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -329.492476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.492476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.492476 (E_RNA)
where:
Base-Base interactions energy: -216.875
where: short stacking energy: -96.556
Base-Backbone interact. energy: -1.774
local terms energy: -110.843190
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -33.888
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: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -315.680700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.680700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.680700 (E_RNA)
where:
Base-Base interactions energy: -201.368
where: short stacking energy: -87.466
Base-Backbone interact. energy: -0.001
local terms energy: -114.312118
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -31.136
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: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -257.186702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.186702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.186702 (E_RNA)
where:
Base-Base interactions energy: -159.656
where: short stacking energy: -77.298
Base-Backbone interact. energy: -0.601
local terms energy: -96.929289
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -253.616001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.616001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.616001 (E_RNA)
where:
Base-Base interactions energy: -163.068
where: short stacking energy: -74.351
Base-Backbone interact. energy: -0.320
local terms energy: -90.227756
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -259.570037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.570037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.570037 (E_RNA)
where:
Base-Base interactions energy: -167.187
where: short stacking energy: -85.076
Base-Backbone interact. energy: -0.163
local terms energy: -92.220416
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -24.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -111.951116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.951116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.951116 (E_RNA)
where:
Base-Base interactions energy: -54.404
where: short stacking energy: -37.884
Base-Backbone interact. energy: -0.595
local terms energy: -56.952172
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -5.027
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: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -115.703946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.703946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.703946 (E_RNA)
where:
Base-Base interactions energy: -50.417
where: short stacking energy: -39.391
Base-Backbone interact. energy: -0.079
local terms energy: -65.208123
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -106.435247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.435247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.435247 (E_RNA)
where:
Base-Base interactions energy: -35.924
where: short stacking energy: -33.330
Base-Backbone interact. energy: 1.850
local terms energy: -72.360768
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -10.162
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: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -344.736868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.736868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.736868 (E_RNA)
where:
Base-Base interactions energy: -229.694
where: short stacking energy: -104.744
Base-Backbone interact. energy: -0.002
local terms energy: -115.040677
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -21.291
tors. eta vs tors. theta energy: -31.943
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: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -342.812452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.812452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.812452 (E_RNA)
where:
Base-Base interactions energy: -228.134
where: short stacking energy: -103.483
Base-Backbone interact. energy: -0.577
local terms energy: -114.101672
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -20.642
tors. eta vs tors. theta energy: -32.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -324.635578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.635578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.635578 (E_RNA)
where:
Base-Base interactions energy: -219.631
where: short stacking energy: -100.838
Base-Backbone interact. energy: -0.251
local terms energy: -104.754030
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -31.899
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: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -325.326837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.326837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.326837 (E_RNA)
where:
Base-Base interactions energy: -207.221
where: short stacking energy: -103.184
Base-Backbone interact. energy: -0.127
local terms energy: -117.978223
where:
bonds (distance) C4'-P energy: -20.226
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -33.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -263.578445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.578445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.578445 (E_RNA)
where:
Base-Base interactions energy: -171.068
where: short stacking energy: -84.831
Base-Backbone interact. energy: -0.145
local terms energy: -92.365026
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -22.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -253.502044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.502044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.502044 (E_RNA)
where:
Base-Base interactions energy: -165.779
where: short stacking energy: -74.694
Base-Backbone interact. energy: -0.092
local terms energy: -87.631820
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -21.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -253.005915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.005915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.005915 (E_RNA)
where:
Base-Base interactions energy: -170.439
where: short stacking energy: -79.316
Base-Backbone interact. energy: -0.168
local terms energy: -82.399091
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -23.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -123.752655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.752655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.752655 (E_RNA)
where:
Base-Base interactions energy: -51.179
where: short stacking energy: -48.014
Base-Backbone interact. energy: -0.218
local terms energy: -72.355228
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -9.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -104.134142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.134142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.134142 (E_RNA)
where:
Base-Base interactions energy: -35.786
where: short stacking energy: -35.610
Base-Backbone interact. energy: -0.140
local terms energy: -68.208198
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -23.755
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -97.815146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.815146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.815146 (E_RNA)
where:
Base-Base interactions energy: -40.426
where: short stacking energy: -37.780
Base-Backbone interact. energy: 0.999
local terms energy: -58.387948
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -342.098080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.098080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.098080 (E_RNA)
where:
Base-Base interactions energy: -225.517
where: short stacking energy: -108.629
Base-Backbone interact. energy: -0.241
local terms energy: -116.340203
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -25.708
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -31.482
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: 317
Temperature: 0.950000
Total energy: -339.087088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.087088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.087088 (E_RNA)
where:
Base-Base interactions energy: -219.190
where: short stacking energy: -97.931
Base-Backbone interact. energy: -0.422
local terms energy: -119.475229
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -33.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -331.852726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.852726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.852726 (E_RNA)
where:
Base-Base interactions energy: -220.122
where: short stacking energy: -101.021
Base-Backbone interact. energy: -0.133
local terms energy: -111.597735
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -32.635
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: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -325.084911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.084911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.084911 (E_RNA)
where:
Base-Base interactions energy: -220.343
where: short stacking energy: -97.336
Base-Backbone interact. energy: -0.445
local terms energy: -104.296809
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -31.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -264.860430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.860430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.860430 (E_RNA)
where:
Base-Base interactions energy: -165.125
where: short stacking energy: -91.040
Base-Backbone interact. energy: -0.015
local terms energy: -99.720092
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -30.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -245.787900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.787900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.787900 (E_RNA)
where:
Base-Base interactions energy: -161.429
where: short stacking energy: -76.630
Base-Backbone interact. energy: -0.973
local terms energy: -83.386362
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -261.970014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.970014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.970014 (E_RNA)
where:
Base-Base interactions energy: -163.848
where: short stacking energy: -86.470
Base-Backbone interact. energy: -0.858
local terms energy: -97.263973
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -113.492919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.492919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.492919 (E_RNA)
where:
Base-Base interactions energy: -44.376
where: short stacking energy: -43.720
Base-Backbone interact. energy: -0.083
local terms energy: -69.033969
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -103.390107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.390107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.390107 (E_RNA)
where:
Base-Base interactions energy: -34.158
where: short stacking energy: -34.158
Base-Backbone interact. energy: -0.491
local terms energy: -68.740631
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -10.258
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: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -110.433375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.433375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.433375 (E_RNA)
where:
Base-Base interactions energy: -48.503
where: short stacking energy: -48.469
Base-Backbone interact. energy: -0.428
local terms energy: -61.502429
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -1.872
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: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -346.843672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.843672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.843672 (E_RNA)
where:
Base-Base interactions energy: -235.669
where: short stacking energy: -113.765
Base-Backbone interact. energy: -0.994
local terms energy: -110.179932
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -31.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -338.561007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.561007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.561007 (E_RNA)
where:
Base-Base interactions energy: -218.238
where: short stacking energy: -91.116
Base-Backbone interact. energy: -1.010
local terms energy: -119.312962
where:
bonds (distance) C4'-P energy: -23.377
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -20.609
tors. eta vs tors. theta energy: -34.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -337.006111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.006111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.006111 (E_RNA)
where:
Base-Base interactions energy: -224.232
where: short stacking energy: -89.503
Base-Backbone interact. energy: -0.933
local terms energy: -111.841050
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -31.214
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: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -315.590017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.590017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.590017 (E_RNA)
where:
Base-Base interactions energy: -215.854
where: short stacking energy: -101.454
Base-Backbone interact. energy: -2.090
local terms energy: -97.645631
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -31.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -267.233236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.233236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.233236 (E_RNA)
where:
Base-Base interactions energy: -162.482
where: short stacking energy: -86.328
Base-Backbone interact. energy: -0.722
local terms energy: -104.029304
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -27.266
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: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -253.177985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.177985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.177985 (E_RNA)
where:
Base-Base interactions energy: -159.632
where: short stacking energy: -76.059
Base-Backbone interact. energy: -0.084
local terms energy: -93.462515
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -22.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -244.132254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.132254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.132254 (E_RNA)
where:
Base-Base interactions energy: -152.683
where: short stacking energy: -74.650
Base-Backbone interact. energy: -0.593
local terms energy: -90.855967
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -25.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -118.483243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.483243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.483243 (E_RNA)
where:
Base-Base interactions energy: -50.963
where: short stacking energy: -43.556
Base-Backbone interact. energy: -0.207
local terms energy: -67.313708
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -20.906
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -107.879186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.879186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.879186 (E_RNA)
where:
Base-Base interactions energy: -42.848
where: short stacking energy: -39.634
Base-Backbone interact. energy: -0.165
local terms energy: -64.865870
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -7.407
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: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -100.594029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.594029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.594029 (E_RNA)
where:
Base-Base interactions energy: -34.694
where: short stacking energy: -34.694
Base-Backbone interact. energy: -0.331
local terms energy: -65.568357
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -354.002669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.002669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.002669 (E_RNA)
where:
Base-Base interactions energy: -237.522
where: short stacking energy: -91.795
Base-Backbone interact. energy: -0.779
local terms energy: -115.701597
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -22.435
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -29.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -331.839581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.839581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.839581 (E_RNA)
where:
Base-Base interactions energy: -212.537
where: short stacking energy: -86.259
Base-Backbone interact. energy: -0.527
local terms energy: -118.776230
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -33.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -326.585421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.585421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.585421 (E_RNA)
where:
Base-Base interactions energy: -224.274
where: short stacking energy: -94.601
Base-Backbone interact. energy: -1.956
local terms energy: -100.354767
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -31.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -325.778941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.778941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.778941 (E_RNA)
where:
Base-Base interactions energy: -216.969
where: short stacking energy: -88.919
Base-Backbone interact. energy: 0.199
local terms energy: -109.008708
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -31.191
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: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -269.179125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.179125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.179125 (E_RNA)
where:
Base-Base interactions energy: -173.899
where: short stacking energy: -72.944
Base-Backbone interact. energy: -0.705
local terms energy: -94.575212
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -273.106538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.106538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.106538 (E_RNA)
where:
Base-Base interactions energy: -179.008
where: short stacking energy: -88.268
Base-Backbone interact. energy: -0.645
local terms energy: -93.453028
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -24.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -253.807323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.807323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.807323 (E_RNA)
where:
Base-Base interactions energy: -168.747
where: short stacking energy: -88.463
Base-Backbone interact. energy: 0.131
local terms energy: -85.191657
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -25.518
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: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -114.483227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.483227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.483227 (E_RNA)
where:
Base-Base interactions energy: -42.076
where: short stacking energy: -29.695
Base-Backbone interact. energy: -0.877
local terms energy: -71.530076
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -9.110
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: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -112.251232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.251232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.251232 (E_RNA)
where:
Base-Base interactions energy: -42.908
where: short stacking energy: -30.746
Base-Backbone interact. energy: -2.053
local terms energy: -67.290825
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -96.793831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.793831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.793831 (E_RNA)
where:
Base-Base interactions energy: -33.942
where: short stacking energy: -33.942
Base-Backbone interact. energy: 0.799
local terms energy: -63.651186
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -351.805922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.805922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.805922 (E_RNA)
where:
Base-Base interactions energy: -237.651
where: short stacking energy: -102.666
Base-Backbone interact. energy: -1.236
local terms energy: -112.919209
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -32.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -336.908924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.908924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.908924 (E_RNA)
where:
Base-Base interactions energy: -234.619
where: short stacking energy: -99.145
Base-Backbone interact. energy: -1.793
local terms energy: -100.496802
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -31.486
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: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -336.698537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.698537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.698537 (E_RNA)
where:
Base-Base interactions energy: -222.390
where: short stacking energy: -91.878
Base-Backbone interact. energy: 0.207
local terms energy: -114.515481
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -29.697
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: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -321.112284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.112284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.112284 (E_RNA)
where:
Base-Base interactions energy: -211.179
where: short stacking energy: -91.271
Base-Backbone interact. energy: -1.729
local terms energy: -108.204745
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -26.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -265.651559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.651559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.651559 (E_RNA)
where:
Base-Base interactions energy: -156.851
where: short stacking energy: -77.890
Base-Backbone interact. energy: -0.853
local terms energy: -107.946872
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -23.652
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -23.931
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: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -258.731486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.731486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.731486 (E_RNA)
where:
Base-Base interactions energy: -165.257
where: short stacking energy: -77.758
Base-Backbone interact. energy: -0.113
local terms energy: -93.361706
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -22.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -246.881658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.881658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.881658 (E_RNA)
where:
Base-Base interactions energy: -153.981
where: short stacking energy: -74.007
Base-Backbone interact. energy: -0.229
local terms energy: -92.671718
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -110.847236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.847236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.847236 (E_RNA)
where:
Base-Base interactions energy: -38.496
where: short stacking energy: -38.996
Base-Backbone interact. energy: 2.214
local terms energy: -74.565264
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -13.993
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: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -108.980987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.980987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.980987 (E_RNA)
where:
Base-Base interactions energy: -48.150
where: short stacking energy: -47.953
Base-Backbone interact. energy: -0.220
local terms energy: -60.611318
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: 0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -103.880295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.880295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.880295 (E_RNA)
where:
Base-Base interactions energy: -31.509
where: short stacking energy: -31.509
Base-Backbone interact. energy: -0.044
local terms energy: -72.326653
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -349.394657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.394657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.394657 (E_RNA)
where:
Base-Base interactions energy: -231.544
where: short stacking energy: -105.358
Base-Backbone interact. energy: -0.651
local terms energy: -117.199047
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: -29.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -340.944558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.944558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.944558 (E_RNA)
where:
Base-Base interactions energy: -218.725
where: short stacking energy: -89.507
Base-Backbone interact. energy: -1.365
local terms energy: -120.854195
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -32.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -330.847210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.847210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.847210 (E_RNA)
where:
Base-Base interactions energy: -211.172
where: short stacking energy: -100.140
Base-Backbone interact. energy: -0.218
local terms energy: -119.456940
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -19.963
tors. eta vs tors. theta energy: -29.900
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: 1
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -324.056132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.056132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.056132 (E_RNA)
where:
Base-Base interactions energy: -212.527
where: short stacking energy: -94.865
Base-Backbone interact. energy: -0.294
local terms energy: -111.235045
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -32.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -276.136364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.136364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.136364 (E_RNA)
where:
Base-Base interactions energy: -169.366
where: short stacking energy: -84.581
Base-Backbone interact. energy: -0.431
local terms energy: -106.339250
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -22.665
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: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -251.419410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.419410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.419410 (E_RNA)
where:
Base-Base interactions energy: -152.167
where: short stacking energy: -69.391
Base-Backbone interact. energy: -0.600
local terms energy: -98.652177
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -248.280808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.280808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.280808 (E_RNA)
where:
Base-Base interactions energy: -158.741
where: short stacking energy: -75.284
Base-Backbone interact. energy: -0.583
local terms energy: -88.957150
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -21.954
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: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -109.900331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.900331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.900331 (E_RNA)
where:
Base-Base interactions energy: -46.377
where: short stacking energy: -46.377
Base-Backbone interact. energy: -0.287
local terms energy: -63.236140
where:
bonds (distance) C4'-P energy: -21.481
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -114.038477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.038477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.038477 (E_RNA)
where:
Base-Base interactions energy: -47.039
where: short stacking energy: -36.099
Base-Backbone interact. energy: -0.094
local terms energy: -66.905640
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -108.903931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.903931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.903931 (E_RNA)
where:
Base-Base interactions energy: -36.464
where: short stacking energy: -29.831
Base-Backbone interact. energy: -0.202
local terms energy: -72.237880
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -344.806601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.806601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.806601 (E_RNA)
where:
Base-Base interactions energy: -227.768
where: short stacking energy: -98.208
Base-Backbone interact. energy: -1.988
local terms energy: -115.050527
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -31.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -339.152522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.152522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.152522 (E_RNA)
where:
Base-Base interactions energy: -232.117
where: short stacking energy: -102.557
Base-Backbone interact. energy: -0.227
local terms energy: -106.808379
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -31.839
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: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -333.097848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.097848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.097848 (E_RNA)
where:
Base-Base interactions energy: -226.085
where: short stacking energy: -100.260
Base-Backbone interact. energy: 0.038
local terms energy: -107.050474
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -30.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -313.761669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.761669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.761669 (E_RNA)
where:
Base-Base interactions energy: -215.954
where: short stacking energy: -92.208
Base-Backbone interact. energy: -0.096
local terms energy: -97.711866
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -29.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -273.773611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.773611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.773611 (E_RNA)
where:
Base-Base interactions energy: -174.414
where: short stacking energy: -96.347
Base-Backbone interact. energy: -0.161
local terms energy: -99.198708
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -28.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -233.528495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.528495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.528495 (E_RNA)
where:
Base-Base interactions energy: -151.885
where: short stacking energy: -77.569
Base-Backbone interact. energy: 3.391
local terms energy: -85.033715
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -15.154
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: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -230.698889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.698889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.698889 (E_RNA)
where:
Base-Base interactions energy: -139.636
where: short stacking energy: -70.303
Base-Backbone interact. energy: -0.042
local terms energy: -91.021136
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -109.500615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.500615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.500615 (E_RNA)
where:
Base-Base interactions energy: -34.992
where: short stacking energy: -34.517
Base-Backbone interact. energy: -0.324
local terms energy: -74.184466
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -12.457
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: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -114.766540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.766540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.766540 (E_RNA)
where:
Base-Base interactions energy: -48.803
where: short stacking energy: -44.901
Base-Backbone interact. energy: 0.106
local terms energy: -66.069521
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -95.317578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.317578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.317578 (E_RNA)
where:
Base-Base interactions energy: -30.045
where: short stacking energy: -29.233
Base-Backbone interact. energy: -1.343
local terms energy: -63.929416
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: 2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -346.323314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.323314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.323314 (E_RNA)
where:
Base-Base interactions energy: -233.326
where: short stacking energy: -104.499
Base-Backbone interact. energy: -0.093
local terms energy: -112.904293
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -22.712
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -28.903
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: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -337.037030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.037030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.037030 (E_RNA)
where:
Base-Base interactions energy: -219.327
where: short stacking energy: -96.214
Base-Backbone interact. energy: -0.502
local terms energy: -117.207272
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -30.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -330.655111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.655111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.655111 (E_RNA)
where:
Base-Base interactions energy: -220.382
where: short stacking energy: -101.862
Base-Backbone interact. energy: -3.054
local terms energy: -107.218942
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -33.184
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: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -336.049331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.049331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.049331 (E_RNA)
where:
Base-Base interactions energy: -231.226
where: short stacking energy: -103.122
Base-Backbone interact. energy: -0.029
local terms energy: -104.794141
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -29.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -268.821340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.821340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.821340 (E_RNA)
where:
Base-Base interactions energy: -162.381
where: short stacking energy: -77.797
Base-Backbone interact. energy: -0.084
local terms energy: -106.356302
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -28.225
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: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -270.190272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.190272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.190272 (E_RNA)
where:
Base-Base interactions energy: -169.545
where: short stacking energy: -91.224
Base-Backbone interact. energy: -0.108
local terms energy: -100.538011
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -27.299
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: 2
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -229.647078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.647078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.647078 (E_RNA)
where:
Base-Base interactions energy: -147.191
where: short stacking energy: -73.520
Base-Backbone interact. energy: -0.711
local terms energy: -81.745363
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -18.471
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: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -124.540595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.540595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.540595 (E_RNA)
where:
Base-Base interactions energy: -50.935
where: short stacking energy: -50.935
Base-Backbone interact. energy: 0.641
local terms energy: -74.246465
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -22.540
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -9.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -108.835228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.835228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.835228 (E_RNA)
where:
Base-Base interactions energy: -38.503
where: short stacking energy: -22.900
Base-Backbone interact. energy: -0.908
local terms energy: -69.424604
where:
bonds (distance) C4'-P energy: -21.929
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -1.269
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: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -103.227981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.227981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.227981 (E_RNA)
where:
Base-Base interactions energy: -39.469
where: short stacking energy: -37.628
Base-Backbone interact. energy: -0.271
local terms energy: -63.488401
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -334.065225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.065225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.065225 (E_RNA)
where:
Base-Base interactions energy: -225.459
where: short stacking energy: -104.699
Base-Backbone interact. energy: -0.005
local terms energy: -108.601803
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -34.549
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: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -340.506194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.506194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.506194 (E_RNA)
where:
Base-Base interactions energy: -223.173
where: short stacking energy: -94.671
Base-Backbone interact. energy: -1.206
local terms energy: -116.126686
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -24.608
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -30.481
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: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -333.904327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.904327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.904327 (E_RNA)
where:
Base-Base interactions energy: -218.697
where: short stacking energy: -94.170
Base-Backbone interact. energy: -1.807
local terms energy: -113.400490
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -30.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -322.811611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.811611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.811611 (E_RNA)
where:
Base-Base interactions energy: -224.302
where: short stacking energy: -97.027
Base-Backbone interact. energy: -0.053
local terms energy: -98.456173
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -27.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -263.377297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.377297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.377297 (E_RNA)
where:
Base-Base interactions energy: -168.715
where: short stacking energy: -88.100
Base-Backbone interact. energy: -0.763
local terms energy: -93.899501
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -25.550
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: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -269.670391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.670391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.670391 (E_RNA)
where:
Base-Base interactions energy: -172.647
where: short stacking energy: -89.010
Base-Backbone interact. energy: -0.043
local terms energy: -96.980313
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -23.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -240.587772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.587772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.587772 (E_RNA)
where:
Base-Base interactions energy: -150.704
where: short stacking energy: -71.765
Base-Backbone interact. energy: -0.311
local terms energy: -89.572544
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -119.091893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.091893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.091893 (E_RNA)
where:
Base-Base interactions energy: -40.219
where: short stacking energy: -40.219
Base-Backbone interact. energy: -0.224
local terms energy: -78.647993
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -101.099762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.099762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.099762 (E_RNA)
where:
Base-Base interactions energy: -38.571
where: short stacking energy: -27.645
Base-Backbone interact. energy: 0.083
local terms energy: -62.611367
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: 0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -103.949713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.949713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.949713 (E_RNA)
where:
Base-Base interactions energy: -33.881
where: short stacking energy: -24.789
Base-Backbone interact. energy: -0.506
local terms energy: -69.563253
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -9.148
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: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -342.826161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.826161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.826161 (E_RNA)
where:
Base-Base interactions energy: -230.979
where: short stacking energy: -103.252
Base-Backbone interact. energy: 0.190
local terms energy: -112.036738
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -17.283
tors. eta vs tors. theta energy: -31.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -344.246875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.246875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.246875 (E_RNA)
where:
Base-Base interactions energy: -225.929
where: short stacking energy: -105.227
Base-Backbone interact. energy: -1.366
local terms energy: -116.951787
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -32.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -321.782278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.782278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.782278 (E_RNA)
where:
Base-Base interactions energy: -215.987
where: short stacking energy: -89.334
Base-Backbone interact. energy: -1.852
local terms energy: -103.943933
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -329.808656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.808656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.808656 (E_RNA)
where:
Base-Base interactions energy: -218.997
where: short stacking energy: -94.250
Base-Backbone interact. energy: -0.020
local terms energy: -110.792152
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -32.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -261.234742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.234742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.234742 (E_RNA)
where:
Base-Base interactions energy: -165.385
where: short stacking energy: -85.784
Base-Backbone interact. energy: -0.924
local terms energy: -94.924960
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -249.037696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.037696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.037696 (E_RNA)
where:
Base-Base interactions energy: -156.169
where: short stacking energy: -75.089
Base-Backbone interact. energy: -0.497
local terms energy: -92.372050
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -251.981833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.981833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.981833 (E_RNA)
where:
Base-Base interactions energy: -159.226
where: short stacking energy: -82.162
Base-Backbone interact. energy: -0.256
local terms energy: -92.499166
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -27.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -161.535935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.535935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.535935 (E_RNA)
where:
Base-Base interactions energy: -94.563
where: short stacking energy: -39.743
Base-Backbone interact. energy: -0.643
local terms energy: -66.329813
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: 0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -104.771998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.771998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.771998 (E_RNA)
where:
Base-Base interactions energy: -44.084
where: short stacking energy: -28.109
Base-Backbone interact. energy: -0.312
local terms energy: -60.376023
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -92.894286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.894286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.894286 (E_RNA)
where:
Base-Base interactions energy: -29.627
where: short stacking energy: -29.627
Base-Backbone interact. energy: -0.330
local terms energy: -62.937750
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: 2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -339.011227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.011227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.011227 (E_RNA)
where:
Base-Base interactions energy: -225.361
where: short stacking energy: -97.621
Base-Backbone interact. energy: -0.970
local terms energy: -112.680317
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -30.744
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: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -340.743524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.743524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.743524 (E_RNA)
where:
Base-Base interactions energy: -228.384
where: short stacking energy: -104.590
Base-Backbone interact. energy: -0.946
local terms energy: -111.413658
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -33.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -333.064738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.064738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.064738 (E_RNA)
where:
Base-Base interactions energy: -220.525
where: short stacking energy: -100.742
Base-Backbone interact. energy: -0.006
local terms energy: -112.534387
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -30.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -323.992351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.992351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.992351 (E_RNA)
where:
Base-Base interactions energy: -209.393
where: short stacking energy: -95.664
Base-Backbone interact. energy: -0.292
local terms energy: -114.307593
where:
bonds (distance) C4'-P energy: -23.641
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -27.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -260.605601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.605601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.605601 (E_RNA)
where:
Base-Base interactions energy: -159.463
where: short stacking energy: -78.647
Base-Backbone interact. energy: -0.096
local terms energy: -101.046697
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -252.499178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.499178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.499178 (E_RNA)
where:
Base-Base interactions energy: -156.040
where: short stacking energy: -61.620
Base-Backbone interact. energy: -1.225
local terms energy: -95.234661
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -245.016891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.016891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.016891 (E_RNA)
where:
Base-Base interactions energy: -152.476
where: short stacking energy: -71.570
Base-Backbone interact. energy: -0.095
local terms energy: -92.446574
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -172.570350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.570350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.570350 (E_RNA)
where:
Base-Base interactions energy: -103.356
where: short stacking energy: -60.108
Base-Backbone interact. energy: -0.137
local terms energy: -69.076792
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -11.702
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: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -118.643069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.643069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.643069 (E_RNA)
where:
Base-Base interactions energy: -48.919
where: short stacking energy: -40.336
Base-Backbone interact. energy: -0.194
local terms energy: -69.530265
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -95.775296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.775296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.775296 (E_RNA)
where:
Base-Base interactions energy: -38.048
where: short stacking energy: -29.795
Base-Backbone interact. energy: -0.316
local terms energy: -57.410453
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -12.134
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: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -338.926766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.926766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.926766 (E_RNA)
where:
Base-Base interactions energy: -222.102
where: short stacking energy: -103.111
Base-Backbone interact. energy: 0.507
local terms energy: -117.332085
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -23.667
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -32.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -338.960544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.960544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.960544 (E_RNA)
where:
Base-Base interactions energy: -235.092
where: short stacking energy: -101.944
Base-Backbone interact. energy: 0.435
local terms energy: -104.303588
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -29.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -323.351145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.351145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.351145 (E_RNA)
where:
Base-Base interactions energy: -214.352
where: short stacking energy: -95.530
Base-Backbone interact. energy: -3.310
local terms energy: -105.689367
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -29.435
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: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -326.293312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.293312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.293312 (E_RNA)
where:
Base-Base interactions energy: -220.648
where: short stacking energy: -103.136
Base-Backbone interact. energy: -1.246
local terms energy: -104.399174
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -30.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -275.157990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.157990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.157990 (E_RNA)
where:
Base-Base interactions energy: -178.530
where: short stacking energy: -86.474
Base-Backbone interact. energy: -0.085
local terms energy: -96.543548
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -25.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -243.432642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.432642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.432642 (E_RNA)
where:
Base-Base interactions energy: -155.201
where: short stacking energy: -74.865
Base-Backbone interact. energy: -0.068
local terms energy: -88.163836
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -260.302851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.302851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.302851 (E_RNA)
where:
Base-Base interactions energy: -162.224
where: short stacking energy: -80.753
Base-Backbone interact. energy: -1.591
local terms energy: -96.488136
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -23.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -159.877460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.877460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.877460 (E_RNA)
where:
Base-Base interactions energy: -85.599
where: short stacking energy: -45.379
Base-Backbone interact. energy: -0.002
local terms energy: -74.277002
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -15.112
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: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -102.003875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.003875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.003875 (E_RNA)
where:
Base-Base interactions energy: -42.575
where: short stacking energy: -38.796
Base-Backbone interact. energy: -0.219
local terms energy: -59.209920
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: 2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -104.412347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.412347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.412347 (E_RNA)
where:
Base-Base interactions energy: -42.877
where: short stacking energy: -29.276
Base-Backbone interact. energy: -0.313
local terms energy: -61.222848
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -345.772186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.772186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.772186 (E_RNA)
where:
Base-Base interactions energy: -230.575
where: short stacking energy: -99.936
Base-Backbone interact. energy: -0.281
local terms energy: -114.916367
where:
bonds (distance) C4'-P energy: -22.029
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -33.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -331.467044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.467044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.467044 (E_RNA)
where:
Base-Base interactions energy: -215.937
where: short stacking energy: -97.573
Base-Backbone interact. energy: -0.597
local terms energy: -114.933127
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -30.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -329.614171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.614171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.614171 (E_RNA)
where:
Base-Base interactions energy: -223.091
where: short stacking energy: -95.435
Base-Backbone interact. energy: -0.423
local terms energy: -106.100468
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -29.841
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: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -325.834429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.834429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.834429 (E_RNA)
where:
Base-Base interactions energy: -213.610
where: short stacking energy: -94.307
Base-Backbone interact. energy: -0.886
local terms energy: -111.338304
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -25.686
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -30.509
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: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -262.373817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.373817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.373817 (E_RNA)
where:
Base-Base interactions energy: -165.667
where: short stacking energy: -88.675
Base-Backbone interact. energy: -1.647
local terms energy: -95.059315
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -20.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -259.554740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.554740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.554740 (E_RNA)
where:
Base-Base interactions energy: -160.075
where: short stacking energy: -75.335
Base-Backbone interact. energy: -0.112
local terms energy: -99.367796
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -21.448
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: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -242.740658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.740658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.740658 (E_RNA)
where:
Base-Base interactions energy: -165.017
where: short stacking energy: -74.673
Base-Backbone interact. energy: -0.245
local terms energy: -77.478780
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -163.295742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.295742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.295742 (E_RNA)
where:
Base-Base interactions energy: -85.160
where: short stacking energy: -44.815
Base-Backbone interact. energy: -0.809
local terms energy: -77.326749
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -9.478
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: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -111.945959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.945959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.945959 (E_RNA)
where:
Base-Base interactions energy: -45.952
where: short stacking energy: -37.407
Base-Backbone interact. energy: -0.259
local terms energy: -65.735658
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -7.024
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: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -106.264776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.264776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.264776 (E_RNA)
where:
Base-Base interactions energy: -40.671
where: short stacking energy: -32.857
Base-Backbone interact. energy: -0.316
local terms energy: -65.277597
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -348.297802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.297802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.297802 (E_RNA)
where:
Base-Base interactions energy: -232.051
where: short stacking energy: -99.705
Base-Backbone interact. energy: -1.164
local terms energy: -115.082757
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -20.424
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -33.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -333.261103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.261103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.261103 (E_RNA)
where:
Base-Base interactions energy: -219.070
where: short stacking energy: -93.523
Base-Backbone interact. energy: -1.270
local terms energy: -112.920855
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -34.429
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: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -329.949677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.949677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.949677 (E_RNA)
where:
Base-Base interactions energy: -221.254
where: short stacking energy: -92.350
Base-Backbone interact. energy: -0.011
local terms energy: -108.685171
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -29.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -329.618920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.618920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.618920 (E_RNA)
where:
Base-Base interactions energy: -221.685
where: short stacking energy: -98.651
Base-Backbone interact. energy: -0.015
local terms energy: -107.919189
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -30.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -260.454308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.454308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.454308 (E_RNA)
where:
Base-Base interactions energy: -160.717
where: short stacking energy: -78.942
Base-Backbone interact. energy: -0.336
local terms energy: -99.401189
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -24.976
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: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -258.784529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.784529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.784529 (E_RNA)
where:
Base-Base interactions energy: -164.622
where: short stacking energy: -82.699
Base-Backbone interact. energy: -0.005
local terms energy: -94.157486
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -24.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -270.967998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.967998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.967998 (E_RNA)
where:
Base-Base interactions energy: -169.371
where: short stacking energy: -85.852
Base-Backbone interact. energy: -0.112
local terms energy: -101.485746
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -27.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -189.198923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.198923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.198923 (E_RNA)
where:
Base-Base interactions energy: -105.155
where: short stacking energy: -68.789
Base-Backbone interact. energy: -0.126
local terms energy: -83.917591
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -126.888790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.888790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.888790 (E_RNA)
where:
Base-Base interactions energy: -52.656
where: short stacking energy: -34.023
Base-Backbone interact. energy: -0.771
local terms energy: -73.461233
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: 0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -98.974965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.974965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.974965 (E_RNA)
where:
Base-Base interactions energy: -40.155
where: short stacking energy: -39.469
Base-Backbone interact. energy: 0.796
local terms energy: -59.615600
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: 1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -351.203324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.203324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.203324 (E_RNA)
where:
Base-Base interactions energy: -240.829
where: short stacking energy: -101.683
Base-Backbone interact. energy: -1.965
local terms energy: -108.409460
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -30.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -335.453791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.453791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.453791 (E_RNA)
where:
Base-Base interactions energy: -235.734
where: short stacking energy: -104.006
Base-Backbone interact. energy: -1.877
local terms energy: -97.842883
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -31.165
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: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -336.406132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.406132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.406132 (E_RNA)
where:
Base-Base interactions energy: -222.050
where: short stacking energy: -93.995
Base-Backbone interact. energy: -1.773
local terms energy: -112.582944
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -23.034
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -30.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -332.019323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.019323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.019323 (E_RNA)
where:
Base-Base interactions energy: -215.210
where: short stacking energy: -95.010
Base-Backbone interact. energy: -1.552
local terms energy: -115.257953
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -32.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -272.685268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.685268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.685268 (E_RNA)
where:
Base-Base interactions energy: -171.841
where: short stacking energy: -91.061
Base-Backbone interact. energy: -0.459
local terms energy: -100.384618
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -22.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -266.071327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.071327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.071327 (E_RNA)
where:
Base-Base interactions energy: -165.604
where: short stacking energy: -83.070
Base-Backbone interact. energy: -0.764
local terms energy: -99.703708
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -25.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -181.784921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.784921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.784921 (E_RNA)
where:
Base-Base interactions energy: -107.358
where: short stacking energy: -54.708
Base-Backbone interact. energy: -0.188
local terms energy: -74.238496
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -240.172565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.172565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.172565 (E_RNA)
where:
Base-Base interactions energy: -156.440
where: short stacking energy: -70.939
Base-Backbone interact. energy: -0.116
local terms energy: -83.616793
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -20.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -122.917480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.917480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.917480 (E_RNA)
where:
Base-Base interactions energy: -56.268
where: short stacking energy: -29.625
Base-Backbone interact. energy: -0.928
local terms energy: -65.721104
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: 1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -97.959484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.959484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.959484 (E_RNA)
where:
Base-Base interactions energy: -32.710
where: short stacking energy: -31.749
Base-Backbone interact. energy: -0.025
local terms energy: -65.224100
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -348.366795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.366795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.366795 (E_RNA)
where:
Base-Base interactions energy: -232.406
where: short stacking energy: -100.735
Base-Backbone interact. energy: -1.237
local terms energy: -114.723601
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -34.073
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: 331
Temperature: 0.950000
Total energy: -333.542104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.542104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.542104 (E_RNA)
where:
Base-Base interactions energy: -228.464
where: short stacking energy: -105.070
Base-Backbone interact. energy: -1.120
local terms energy: -103.958449
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -25.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -327.069179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.069179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.069179 (E_RNA)
where:
Base-Base interactions energy: -219.010
where: short stacking energy: -99.937
Base-Backbone interact. energy: -0.401
local terms energy: -107.658599
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -29.756
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: 4, replica: 10
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -326.248705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.248705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.248705 (E_RNA)
where:
Base-Base interactions energy: -214.291
where: short stacking energy: -93.620
Base-Backbone interact. energy: -0.589
local terms energy: -111.368301
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -29.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -265.720065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.720065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.720065 (E_RNA)
where:
Base-Base interactions energy: -164.732
where: short stacking energy: -84.990
Base-Backbone interact. energy: -0.008
local terms energy: -100.979736
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -26.491
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: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -233.146580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.146580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.146580 (E_RNA)
where:
Base-Base interactions energy: -152.482
where: short stacking energy: -70.397
Base-Backbone interact. energy: -0.418
local terms energy: -80.246631
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -9.355
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: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -225.160881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.160881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.160881 (E_RNA)
where:
Base-Base interactions energy: -155.342
where: short stacking energy: -72.058
Base-Backbone interact. energy: -0.574
local terms energy: -69.244291
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -5.451
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: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -242.008661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.008661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.008661 (E_RNA)
where:
Base-Base interactions energy: -156.227
where: short stacking energy: -76.592
Base-Backbone interact. energy: -0.210
local terms energy: -85.571446
where:
bonds (distance) C4'-P energy: -22.545
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -154.888231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.888231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.888231 (E_RNA)
where:
Base-Base interactions energy: -87.644
where: short stacking energy: -52.036
Base-Backbone interact. energy: -0.038
local terms energy: -67.206009
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -92.538573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.538573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.538573 (E_RNA)
where:
Base-Base interactions energy: -29.441
where: short stacking energy: -30.903
Base-Backbone interact. energy: -0.563
local terms energy: -62.534354
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: 3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -339.697691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.697691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.697691 (E_RNA)
where:
Base-Base interactions energy: -223.286
where: short stacking energy: -95.530
Base-Backbone interact. energy: -2.312
local terms energy: -114.099914
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -31.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -342.068922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.068922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.068922 (E_RNA)
where:
Base-Base interactions energy: -235.582
where: short stacking energy: -97.681
Base-Backbone interact. energy: -1.053
local terms energy: -105.434062
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -28.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -330.008813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.008813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.008813 (E_RNA)
where:
Base-Base interactions energy: -207.110
where: short stacking energy: -88.533
Base-Backbone interact. energy: -1.150
local terms energy: -121.749034
where:
bonds (distance) C4'-P energy: -24.279
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -29.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -322.395591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.395591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.395591 (E_RNA)
where:
Base-Base interactions energy: -217.753
where: short stacking energy: -96.565
Base-Backbone interact. energy: -0.653
local terms energy: -103.990005
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -31.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -237.332477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.332477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.332477 (E_RNA)
where:
Base-Base interactions energy: -144.129
where: short stacking energy: -69.842
Base-Backbone interact. energy: -0.608
local terms energy: -92.595204
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -22.668
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -253.621295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.621295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.621295 (E_RNA)
where:
Base-Base interactions energy: -161.703
where: short stacking energy: -78.795
Base-Backbone interact. energy: -0.262
local terms energy: -91.656710
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -24.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -225.853798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.853798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.853798 (E_RNA)
where:
Base-Base interactions energy: -131.660
where: short stacking energy: -63.555
Base-Backbone interact. energy: -0.033
local terms energy: -94.160336
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -166.985089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.985089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.985089 (E_RNA)
where:
Base-Base interactions energy: -86.632
where: short stacking energy: -45.322
Base-Backbone interact. energy: -0.214
local terms energy: -80.138942
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -7.876
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -16.022
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: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -150.381266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.381266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.381266 (E_RNA)
where:
Base-Base interactions energy: -78.559
where: short stacking energy: -44.231
Base-Backbone interact. energy: -1.089
local terms energy: -70.732999
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -5.011
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: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -101.724197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.724197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.724197 (E_RNA)
where:
Base-Base interactions energy: -33.683
where: short stacking energy: -33.683
Base-Backbone interact. energy: 1.730
local terms energy: -69.770840
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -1.811
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: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -355.832674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.832674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.832674 (E_RNA)
where:
Base-Base interactions energy: -237.468
where: short stacking energy: -113.822
Base-Backbone interact. energy: -1.467
local terms energy: -116.897330
where:
bonds (distance) C4'-P energy: -22.983
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -25.939
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -31.864
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: 333
Temperature: 0.950000
Total energy: -335.253100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.253100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.253100 (E_RNA)
where:
Base-Base interactions energy: -216.850
where: short stacking energy: -96.536
Base-Backbone interact. energy: -1.341
local terms energy: -117.061745
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -31.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -328.375881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.375881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.375881 (E_RNA)
where:
Base-Base interactions energy: -220.844
where: short stacking energy: -96.933
Base-Backbone interact. energy: -1.609
local terms energy: -105.922712
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -29.926
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: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -318.946586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.946586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.946586 (E_RNA)
where:
Base-Base interactions energy: -218.282
where: short stacking energy: -102.044
Base-Backbone interact. energy: 0.050
local terms energy: -100.714462
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -29.031
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: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -268.947250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.947250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.947250 (E_RNA)
where:
Base-Base interactions energy: -175.488
where: short stacking energy: -79.134
Base-Backbone interact. energy: -1.194
local terms energy: -92.265274
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -262.567759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.567759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.567759 (E_RNA)
where:
Base-Base interactions energy: -165.822
where: short stacking energy: -80.790
Base-Backbone interact. energy: -0.878
local terms energy: -95.868224
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -24.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -234.446183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.446183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.446183 (E_RNA)
where:
Base-Base interactions energy: -153.529
where: short stacking energy: -85.599
Base-Backbone interact. energy: -0.933
local terms energy: -79.984308
where:
bonds (distance) C4'-P energy: -6.594
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -155.564710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.564710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.564710 (E_RNA)
where:
Base-Base interactions energy: -88.546
where: short stacking energy: -51.988
Base-Backbone interact. energy: -0.402
local terms energy: -66.616863
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -100.374614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.374614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.374614 (E_RNA)
where:
Base-Base interactions energy: -31.037
where: short stacking energy: -27.166
Base-Backbone interact. energy: 1.096
local terms energy: -70.432914
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -17.497
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: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -113.651591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.651591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.651591 (E_RNA)
where:
Base-Base interactions energy: -43.054
where: short stacking energy: -22.706
Base-Backbone interact. energy: -1.007
local terms energy: -69.590045
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -9.444
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: 1, replica: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -350.186357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.186357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.186357 (E_RNA)
where:
Base-Base interactions energy: -238.938
where: short stacking energy: -111.638
Base-Backbone interact. energy: -0.381
local terms energy: -110.866957
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -18.602
tors. eta vs tors. theta energy: -33.574
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: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -337.848334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.848334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.848334 (E_RNA)
where:
Base-Base interactions energy: -228.483
where: short stacking energy: -103.009
Base-Backbone interact. energy: -0.227
local terms energy: -109.138541
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -29.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -329.122138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.122138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.122138 (E_RNA)
where:
Base-Base interactions energy: -210.118
where: short stacking energy: -97.063
Base-Backbone interact. energy: -0.308
local terms energy: -118.696819
where:
bonds (distance) C4'-P energy: -24.031
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -24.849
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -34.704
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: 334
Temperature: 1.050000
Total energy: -329.994989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.994989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.994989 (E_RNA)
where:
Base-Base interactions energy: -212.801
where: short stacking energy: -91.045
Base-Backbone interact. energy: -0.778
local terms energy: -116.416354
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -33.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -267.294276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.294276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.294276 (E_RNA)
where:
Base-Base interactions energy: -170.985
where: short stacking energy: -84.986
Base-Backbone interact. energy: -0.711
local terms energy: -95.597794
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -25.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -252.982155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.982155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.982155 (E_RNA)
where:
Base-Base interactions energy: -165.245
where: short stacking energy: -86.936
Base-Backbone interact. energy: -0.249
local terms energy: -87.487717
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -21.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -241.869158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.869158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.869158 (E_RNA)
where:
Base-Base interactions energy: -153.412
where: short stacking energy: -67.867
Base-Backbone interact. energy: -1.512
local terms energy: -86.944399
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -13.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -142.969961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.969961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.969961 (E_RNA)
where:
Base-Base interactions energy: -86.869
where: short stacking energy: -48.083
Base-Backbone interact. energy: -0.118
local terms energy: -55.983309
where:
bonds (distance) C4'-P energy: -7.704
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -112.781059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.781059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.781059 (E_RNA)
where:
Base-Base interactions energy: -46.757
where: short stacking energy: -48.157
Base-Backbone interact. energy: -0.053
local terms energy: -65.970602
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -110.047754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.047754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.047754 (E_RNA)
where:
Base-Base interactions energy: -51.382
where: short stacking energy: -35.159
Base-Backbone interact. energy: 0.514
local terms energy: -59.179893
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -6.383
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -3.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -341.681812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.681812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.681812 (E_RNA)
where:
Base-Base interactions energy: -234.365
where: short stacking energy: -92.898
Base-Backbone interact. energy: 0.470
local terms energy: -107.786835
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -31.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -338.365450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.365450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.365450 (E_RNA)
where:
Base-Base interactions energy: -240.043
where: short stacking energy: -88.798
Base-Backbone interact. energy: -0.134
local terms energy: -98.188120
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -25.989
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: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -337.917658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.917658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.917658 (E_RNA)
where:
Base-Base interactions energy: -222.461
where: short stacking energy: -100.629
Base-Backbone interact. energy: -2.309
local terms energy: -113.148371
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -32.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -325.488734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.488734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.488734 (E_RNA)
where:
Base-Base interactions energy: -224.248
where: short stacking energy: -97.272
Base-Backbone interact. energy: -0.002
local terms energy: -101.238809
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -27.918
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: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -267.379496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.379496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.379496 (E_RNA)
where:
Base-Base interactions energy: -177.416
where: short stacking energy: -94.722
Base-Backbone interact. energy: -0.176
local terms energy: -89.786645
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -25.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -240.276684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.276684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.276684 (E_RNA)
where:
Base-Base interactions energy: -149.720
where: short stacking energy: -79.886
Base-Backbone interact. energy: -1.424
local terms energy: -89.132362
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -228.617642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.617642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.617642 (E_RNA)
where:
Base-Base interactions energy: -151.378
where: short stacking energy: -73.492
Base-Backbone interact. energy: -0.575
local terms energy: -76.664863
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -14.639
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: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -108.766408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.766408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.766408 (E_RNA)
where:
Base-Base interactions energy: -31.165
where: short stacking energy: -30.056
Base-Backbone interact. energy: -0.222
local terms energy: -77.378788
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -132.160917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.160917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.160917 (E_RNA)
where:
Base-Base interactions energy: -58.172
where: short stacking energy: -40.572
Base-Backbone interact. energy: -0.575
local terms energy: -73.413807
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -96.959808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.959808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.959808 (E_RNA)
where:
Base-Base interactions energy: -42.275
where: short stacking energy: -18.490
Base-Backbone interact. energy: -0.361
local terms energy: -54.323491
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: 2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -351.038761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.038761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.038761 (E_RNA)
where:
Base-Base interactions energy: -231.759
where: short stacking energy: -98.362
Base-Backbone interact. energy: -0.816
local terms energy: -118.463001
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -24.456
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: -34.205
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: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -351.828995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.828995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.828995 (E_RNA)
where:
Base-Base interactions energy: -235.542
where: short stacking energy: -94.904
Base-Backbone interact. energy: -1.411
local terms energy: -114.875647
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -22.731
flat angles P-C4'-P energy: -19.156
tors. eta vs tors. theta energy: -33.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -337.981673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.981673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.981673 (E_RNA)
where:
Base-Base interactions energy: -228.498
where: short stacking energy: -107.204
Base-Backbone interact. energy: -0.047
local terms energy: -109.436299
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -31.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -330.690180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.690180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.690180 (E_RNA)
where:
Base-Base interactions energy: -232.905
where: short stacking energy: -97.711
Base-Backbone interact. energy: -0.428
local terms energy: -97.357118
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -30.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -259.361887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.361887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.361887 (E_RNA)
where:
Base-Base interactions energy: -166.873
where: short stacking energy: -86.625
Base-Backbone interact. energy: -0.577
local terms energy: -91.912387
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -27.593
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: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -253.151128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.151128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.151128 (E_RNA)
where:
Base-Base interactions energy: -161.226
where: short stacking energy: -75.519
Base-Backbone interact. energy: -0.331
local terms energy: -91.594215
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -262.825940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.825940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.825940 (E_RNA)
where:
Base-Base interactions energy: -170.355
where: short stacking energy: -85.691
Base-Backbone interact. energy: -0.041
local terms energy: -92.430457
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -22.244
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: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -107.884719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.884719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.884719 (E_RNA)
where:
Base-Base interactions energy: -38.839
where: short stacking energy: -33.164
Base-Backbone interact. energy: 1.207
local terms energy: -70.252895
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -121.051263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.051263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.051263 (E_RNA)
where:
Base-Base interactions energy: -52.778
where: short stacking energy: -43.916
Base-Backbone interact. energy: -0.486
local terms energy: -67.786804
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -103.213476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.213476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.213476 (E_RNA)
where:
Base-Base interactions energy: -32.903
where: short stacking energy: -30.683
Base-Backbone interact. energy: -0.595
local terms energy: -69.715806
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -344.283837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.283837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.283837 (E_RNA)
where:
Base-Base interactions energy: -228.862
where: short stacking energy: -102.977
Base-Backbone interact. energy: -0.240
local terms energy: -115.181441
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -31.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -342.614633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.614633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.614633 (E_RNA)
where:
Base-Base interactions energy: -226.178
where: short stacking energy: -102.567
Base-Backbone interact. energy: -0.964
local terms energy: -115.471936
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -30.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -328.853306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.853306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.853306 (E_RNA)
where:
Base-Base interactions energy: -214.186
where: short stacking energy: -97.266
Base-Backbone interact. energy: -0.008
local terms energy: -114.658429
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -29.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -326.920415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.920415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.920415 (E_RNA)
where:
Base-Base interactions energy: -220.307
where: short stacking energy: -95.982
Base-Backbone interact. energy: -0.726
local terms energy: -105.887464
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -32.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -262.577272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.577272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.577272 (E_RNA)
where:
Base-Base interactions energy: -165.666
where: short stacking energy: -80.002
Base-Backbone interact. energy: -1.515
local terms energy: -95.396359
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -19.046
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: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -256.024091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.024091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.024091 (E_RNA)
where:
Base-Base interactions energy: -179.668
where: short stacking energy: -89.166
Base-Backbone interact. energy: 0.279
local terms energy: -76.634574
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -19.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -257.150099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.150099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.150099 (E_RNA)
where:
Base-Base interactions energy: -163.896
where: short stacking energy: -84.207
Base-Backbone interact. energy: -1.136
local terms energy: -92.118603
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -22.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -133.373030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.373030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.373030 (E_RNA)
where:
Base-Base interactions energy: -64.001
where: short stacking energy: -42.844
Base-Backbone interact. energy: 1.639
local terms energy: -71.011360
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -112.766845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.766845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.766845 (E_RNA)
where:
Base-Base interactions energy: -50.488
where: short stacking energy: -45.191
Base-Backbone interact. energy: -0.139
local terms energy: -62.139427
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: 1.250
tors. eta vs tors. theta energy: -9.560
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: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -100.491749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.491749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.491749 (E_RNA)
where:
Base-Base interactions energy: -27.910
where: short stacking energy: -27.910
Base-Backbone interact. energy: -1.132
local terms energy: -71.449402
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -3.227
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: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -343.746612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.746612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.746612 (E_RNA)
where:
Base-Base interactions energy: -229.941
where: short stacking energy: -102.813
Base-Backbone interact. energy: -0.007
local terms energy: -113.798382
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -34.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -331.524009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.524009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.524009 (E_RNA)
where:
Base-Base interactions energy: -224.633
where: short stacking energy: -103.483
Base-Backbone interact. energy: -0.300
local terms energy: -106.590993
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -32.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -323.425675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.425675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.425675 (E_RNA)
where:
Base-Base interactions energy: -215.430
where: short stacking energy: -96.698
Base-Backbone interact. energy: -0.414
local terms energy: -107.582192
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -30.128
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: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -316.691326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.691326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.691326 (E_RNA)
where:
Base-Base interactions energy: -212.380
where: short stacking energy: -87.871
Base-Backbone interact. energy: -2.124
local terms energy: -102.186724
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -28.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -255.436882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.436882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.436882 (E_RNA)
where:
Base-Base interactions energy: -154.806
where: short stacking energy: -75.874
Base-Backbone interact. energy: -1.107
local terms energy: -99.524378
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -258.205844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.205844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.205844 (E_RNA)
where:
Base-Base interactions energy: -165.848
where: short stacking energy: -86.113
Base-Backbone interact. energy: -1.175
local terms energy: -91.182994
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -23.493
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: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -253.424795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.424795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.424795 (E_RNA)
where:
Base-Base interactions energy: -161.694
where: short stacking energy: -75.854
Base-Backbone interact. energy: -0.879
local terms energy: -90.852301
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -22.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -115.569262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.569262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.569262 (E_RNA)
where:
Base-Base interactions energy: -47.467
where: short stacking energy: -39.544
Base-Backbone interact. energy: -0.478
local terms energy: -67.624229
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -6.650
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: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -115.421938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.421938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.421938 (E_RNA)
where:
Base-Base interactions energy: -45.868
where: short stacking energy: -39.484
Base-Backbone interact. energy: -0.203
local terms energy: -69.351202
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -102.274194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.274194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.274194 (E_RNA)
where:
Base-Base interactions energy: -33.426
where: short stacking energy: -28.228
Base-Backbone interact. energy: -0.394
local terms energy: -68.454581
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -343.780079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.780079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.780079 (E_RNA)
where:
Base-Base interactions energy: -222.533
where: short stacking energy: -90.696
Base-Backbone interact. energy: -0.105
local terms energy: -121.141457
where:
bonds (distance) C4'-P energy: -22.353
bonds (distance) P-C4' energy: -25.809
flat angles C4'-P-C4' energy: -23.475
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -31.018
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: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -344.215557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.215557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.215557 (E_RNA)
where:
Base-Base interactions energy: -225.804
where: short stacking energy: -103.859
Base-Backbone interact. energy: -0.101
local terms energy: -118.310898
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -32.113
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: 339
Temperature: 1.000000
Total energy: -328.545567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.545567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.545567 (E_RNA)
where:
Base-Base interactions energy: -218.233
where: short stacking energy: -92.582
Base-Backbone interact. energy: -0.605
local terms energy: -109.707591
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -26.022
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -33.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -322.795967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.795967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.795967 (E_RNA)
where:
Base-Base interactions energy: -219.396
where: short stacking energy: -103.325
Base-Backbone interact. energy: -0.691
local terms energy: -102.709524
where:
bonds (distance) C4'-P energy: -19.123
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: -30.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -260.413158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.413158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.413158 (E_RNA)
where:
Base-Base interactions energy: -175.050
where: short stacking energy: -90.407
Base-Backbone interact. energy: -1.828
local terms energy: -83.534571
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -17.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -243.029573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.029573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.029573 (E_RNA)
where:
Base-Base interactions energy: -149.327
where: short stacking energy: -66.403
Base-Backbone interact. energy: -0.673
local terms energy: -93.029559
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -25.835
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -244.736257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.736257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.736257 (E_RNA)
where:
Base-Base interactions energy: -149.497
where: short stacking energy: -81.980
Base-Backbone interact. energy: -1.327
local terms energy: -93.912219
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -20.190
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -117.299738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.299738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.299738 (E_RNA)
where:
Base-Base interactions energy: -53.922
where: short stacking energy: -47.147
Base-Backbone interact. energy: -0.685
local terms energy: -62.692875
where:
bonds (distance) C4'-P energy: -6.974
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -111.121919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.121919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.121919 (E_RNA)
where:
Base-Base interactions energy: -40.227
where: short stacking energy: -36.580
Base-Backbone interact. energy: -0.417
local terms energy: -70.478505
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -104.596968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.596968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.596968 (E_RNA)
where:
Base-Base interactions energy: -35.611
where: short stacking energy: -27.036
Base-Backbone interact. energy: -0.263
local terms energy: -68.723178
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -2.087
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: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -343.327935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.327935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.327935 (E_RNA)
where:
Base-Base interactions energy: -229.096
where: short stacking energy: -99.611
Base-Backbone interact. energy: -0.556
local terms energy: -113.675329
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -22.726
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -31.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -340.162378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.162378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.162378 (E_RNA)
where:
Base-Base interactions energy: -230.827
where: short stacking energy: -98.242
Base-Backbone interact. energy: -0.305
local terms energy: -109.030292
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -32.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -334.991258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.991258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.991258 (E_RNA)
where:
Base-Base interactions energy: -222.634
where: short stacking energy: -93.473
Base-Backbone interact. energy: -0.015
local terms energy: -112.341783
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -31.362
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: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -297.490362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.490362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.490362 (E_RNA)
where:
Base-Base interactions energy: -200.058
where: short stacking energy: -84.982
Base-Backbone interact. energy: -0.428
local terms energy: -97.004516
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -23.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -251.354205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.354205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.354205 (E_RNA)
where:
Base-Base interactions energy: -166.522
where: short stacking energy: -76.035
Base-Backbone interact. energy: -0.530
local terms energy: -84.301773
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -256.964764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.964764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.964764 (E_RNA)
where:
Base-Base interactions energy: -163.220
where: short stacking energy: -79.657
Base-Backbone interact. energy: -1.715
local terms energy: -92.030141
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -251.214344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.214344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.214344 (E_RNA)
where:
Base-Base interactions energy: -149.382
where: short stacking energy: -81.632
Base-Backbone interact. energy: -1.709
local terms energy: -100.123585
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -22.621
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -115.238109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.238109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.238109 (E_RNA)
where:
Base-Base interactions energy: -40.204
where: short stacking energy: -39.206
Base-Backbone interact. energy: -0.193
local terms energy: -74.841148
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -7.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -116.705047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.705047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.705047 (E_RNA)
where:
Base-Base interactions energy: -51.797
where: short stacking energy: -43.159
Base-Backbone interact. energy: 0.886
local terms energy: -65.793642
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -106.167176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.167176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.167176 (E_RNA)
where:
Base-Base interactions energy: -41.221
where: short stacking energy: -41.221
Base-Backbone interact. energy: 0.671
local terms energy: -65.617123
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -341.780143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.780143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.780143 (E_RNA)
where:
Base-Base interactions energy: -223.251
where: short stacking energy: -103.136
Base-Backbone interact. energy: -0.490
local terms energy: -118.039418
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: -30.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -341.864120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.864120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.864120 (E_RNA)
where:
Base-Base interactions energy: -229.650
where: short stacking energy: -97.552
Base-Backbone interact. energy: -0.745
local terms energy: -111.468685
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -22.484
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -32.697
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: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -335.344990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.344990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.344990 (E_RNA)
where:
Base-Base interactions energy: -223.709
where: short stacking energy: -92.412
Base-Backbone interact. energy: -0.743
local terms energy: -110.892577
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -32.704
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: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -306.095466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.095466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.095466 (E_RNA)
where:
Base-Base interactions energy: -199.840
where: short stacking energy: -91.103
Base-Backbone interact. energy: -0.276
local terms energy: -105.979444
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -27.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -266.686302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.686302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.686302 (E_RNA)
where:
Base-Base interactions energy: -164.102
where: short stacking energy: -86.931
Base-Backbone interact. energy: -1.020
local terms energy: -101.564212
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -21.772
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -27.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -255.394655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.394655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.394655 (E_RNA)
where:
Base-Base interactions energy: -156.576
where: short stacking energy: -73.529
Base-Backbone interact. energy: -0.567
local terms energy: -98.251621
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -24.017
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: 2
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -231.097060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.097060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.097060 (E_RNA)
where:
Base-Base interactions energy: -140.153
where: short stacking energy: -65.913
Base-Backbone interact. energy: 1.866
local terms energy: -92.810207
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -20.940
flat angles P-C4'-P energy: -15.173
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: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -109.252643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.252643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.252643 (E_RNA)
where:
Base-Base interactions energy: -39.851
where: short stacking energy: -39.851
Base-Backbone interact. energy: -0.309
local terms energy: -69.092628
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -110.990858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.990858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.990858 (E_RNA)
where:
Base-Base interactions energy: -45.082
where: short stacking energy: -45.117
Base-Backbone interact. energy: -0.172
local terms energy: -65.736663
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -96.039432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.039432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.039432 (E_RNA)
where:
Base-Base interactions energy: -37.222
where: short stacking energy: -31.509
Base-Backbone interact. energy: -0.140
local terms energy: -58.677460
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -353.972206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.972206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.972206 (E_RNA)
where:
Base-Base interactions energy: -236.288
where: short stacking energy: -104.345
Base-Backbone interact. energy: -1.221
local terms energy: -116.462947
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -34.159
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: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -337.750695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.750695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.750695 (E_RNA)
where:
Base-Base interactions energy: -218.030
where: short stacking energy: -101.650
Base-Backbone interact. energy: -0.123
local terms energy: -119.597633
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -34.003
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: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -332.882302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.882302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.882302 (E_RNA)
where:
Base-Base interactions energy: -221.634
where: short stacking energy: -102.430
Base-Backbone interact. energy: -0.029
local terms energy: -111.218759
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -25.165
flat angles P-C4'-P energy: -18.003
tors. eta vs tors. theta energy: -30.062
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: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -324.216359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.216359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.216359 (E_RNA)
where:
Base-Base interactions energy: -220.092
where: short stacking energy: -99.818
Base-Backbone interact. energy: -0.049
local terms energy: -104.075665
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -30.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -265.627075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.627075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.627075 (E_RNA)
where:
Base-Base interactions energy: -164.894
where: short stacking energy: -78.596
Base-Backbone interact. energy: -0.081
local terms energy: -100.651323
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -21.374
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -25.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -243.670224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.670224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.670224 (E_RNA)
where:
Base-Base interactions energy: -146.338
where: short stacking energy: -72.622
Base-Backbone interact. energy: -0.897
local terms energy: -96.434905
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -251.220593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.220593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.220593 (E_RNA)
where:
Base-Base interactions energy: -160.216
where: short stacking energy: -80.318
Base-Backbone interact. energy: 1.363
local terms energy: -92.367287
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -120.749218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.749218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.749218 (E_RNA)
where:
Base-Base interactions energy: -44.977
where: short stacking energy: -42.912
Base-Backbone interact. energy: -2.305
local terms energy: -73.467552
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -13.759
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: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -104.450217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.450217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.450217 (E_RNA)
where:
Base-Base interactions energy: -38.694
where: short stacking energy: -38.396
Base-Backbone interact. energy: -0.268
local terms energy: -65.488199
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -103.672869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.672869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.672869 (E_RNA)
where:
Base-Base interactions energy: -34.918
where: short stacking energy: -33.382
Base-Backbone interact. energy: 1.038
local terms energy: -69.791998
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -12.509
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: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -348.648137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.648137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.648137 (E_RNA)
where:
Base-Base interactions energy: -231.482
where: short stacking energy: -100.758
Base-Backbone interact. energy: -1.961
local terms energy: -115.205582
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -33.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -339.740219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.740219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.740219 (E_RNA)
where:
Base-Base interactions energy: -236.776
where: short stacking energy: -98.161
Base-Backbone interact. energy: -0.685
local terms energy: -102.279215
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -34.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -332.155059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.155059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.155059 (E_RNA)
where:
Base-Base interactions energy: -225.581
where: short stacking energy: -99.389
Base-Backbone interact. energy: -0.156
local terms energy: -106.418598
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -32.720
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: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -335.335185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.335185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.335185 (E_RNA)
where:
Base-Base interactions energy: -221.725
where: short stacking energy: -97.291
Base-Backbone interact. energy: -1.800
local terms energy: -111.809830
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -19.371
tors. eta vs tors. theta energy: -33.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -259.128260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.128260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.128260 (E_RNA)
where:
Base-Base interactions energy: -170.200
where: short stacking energy: -82.245
Base-Backbone interact. energy: -0.230
local terms energy: -88.698426
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -248.844137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.844137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.844137 (E_RNA)
where:
Base-Base interactions energy: -152.793
where: short stacking energy: -71.463
Base-Backbone interact. energy: -0.073
local terms energy: -95.978588
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -249.491214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.491214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.491214 (E_RNA)
where:
Base-Base interactions energy: -153.707
where: short stacking energy: -69.978
Base-Backbone interact. energy: -0.447
local terms energy: -95.336648
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -20.916
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -22.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -110.692656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.692656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.692656 (E_RNA)
where:
Base-Base interactions energy: -43.203
where: short stacking energy: -37.833
Base-Backbone interact. energy: 0.052
local terms energy: -67.542164
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -11.066
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: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -107.629141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.629141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.629141 (E_RNA)
where:
Base-Base interactions energy: -33.452
where: short stacking energy: -33.452
Base-Backbone interact. energy: -0.282
local terms energy: -73.894466
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -90.682074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.682074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.682074 (E_RNA)
where:
Base-Base interactions energy: -31.028
where: short stacking energy: -30.416
Base-Backbone interact. energy: -0.363
local terms energy: -59.291421
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: 1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -352.126277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.126277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.126277 (E_RNA)
where:
Base-Base interactions energy: -234.917
where: short stacking energy: -105.908
Base-Backbone interact. energy: -0.224
local terms energy: -116.984912
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -32.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -340.069984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.069984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.069984 (E_RNA)
where:
Base-Base interactions energy: -229.104
where: short stacking energy: -97.010
Base-Backbone interact. energy: -1.550
local terms energy: -109.415950
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -32.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -335.858386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.858386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.858386 (E_RNA)
where:
Base-Base interactions energy: -222.846
where: short stacking energy: -97.606
Base-Backbone interact. energy: -0.338
local terms energy: -112.674733
where:
bonds (distance) C4'-P energy: -19.703
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -24.275
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -30.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -330.006345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.006345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.006345 (E_RNA)
where:
Base-Base interactions energy: -216.497
where: short stacking energy: -91.337
Base-Backbone interact. energy: -0.728
local terms energy: -112.781734
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -29.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -261.501819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.501819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.501819 (E_RNA)
where:
Base-Base interactions energy: -159.689
where: short stacking energy: -84.285
Base-Backbone interact. energy: -0.922
local terms energy: -100.890875
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -247.018392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.018392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.018392 (E_RNA)
where:
Base-Base interactions energy: -166.266
where: short stacking energy: -80.543
Base-Backbone interact. energy: -0.114
local terms energy: -80.638897
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -251.095695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.095695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.095695 (E_RNA)
where:
Base-Base interactions energy: -161.008
where: short stacking energy: -87.070
Base-Backbone interact. energy: -0.188
local terms energy: -89.899764
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -23.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -114.907234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.907234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.907234 (E_RNA)
where:
Base-Base interactions energy: -50.610
where: short stacking energy: -32.658
Base-Backbone interact. energy: -0.354
local terms energy: -63.943016
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -109.417544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.417544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.417544 (E_RNA)
where:
Base-Base interactions energy: -48.599
where: short stacking energy: -41.753
Base-Backbone interact. energy: -2.196
local terms energy: -58.623012
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -100.359610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.359610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.359610 (E_RNA)
where:
Base-Base interactions energy: -38.641
where: short stacking energy: -24.957
Base-Backbone interact. energy: -0.253
local terms energy: -61.465857
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -349.769044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.769044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.769044 (E_RNA)
where:
Base-Base interactions energy: -238.480
where: short stacking energy: -101.510
Base-Backbone interact. energy: 0.250
local terms energy: -111.539082
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -31.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -334.185282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.185282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.185282 (E_RNA)
where:
Base-Base interactions energy: -220.750
where: short stacking energy: -92.497
Base-Backbone interact. energy: -0.778
local terms energy: -112.657192
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -28.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -338.817532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.817532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.817532 (E_RNA)
where:
Base-Base interactions energy: -220.616
where: short stacking energy: -100.562
Base-Backbone interact. energy: -0.590
local terms energy: -117.610563
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -31.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -278.111502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.111502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.111502 (E_RNA)
where:
Base-Base interactions energy: -184.834
where: short stacking energy: -90.056
Base-Backbone interact. energy: -0.285
local terms energy: -92.991892
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -23.948
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: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -323.037842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.037842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.037842 (E_RNA)
where:
Base-Base interactions energy: -209.417
where: short stacking energy: -94.111
Base-Backbone interact. energy: -1.510
local terms energy: -112.110161
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -33.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -253.913629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.913629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.913629 (E_RNA)
where:
Base-Base interactions energy: -160.475
where: short stacking energy: -78.165
Base-Backbone interact. energy: -0.841
local terms energy: -92.597102
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -229.039025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.039025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.039025 (E_RNA)
where:
Base-Base interactions energy: -137.398
where: short stacking energy: -72.045
Base-Backbone interact. energy: -0.653
local terms energy: -90.988367
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -112.222296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.222296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.222296 (E_RNA)
where:
Base-Base interactions energy: -49.485
where: short stacking energy: -44.469
Base-Backbone interact. energy: 0.635
local terms energy: -63.372117
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -106.295736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.295736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.295736 (E_RNA)
where:
Base-Base interactions energy: -40.815
where: short stacking energy: -31.360
Base-Backbone interact. energy: -0.149
local terms energy: -65.331866
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -2.617
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: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -93.698039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.698039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.698039 (E_RNA)
where:
Base-Base interactions energy: -35.386
where: short stacking energy: -32.464
Base-Backbone interact. energy: -0.490
local terms energy: -57.821490
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: 3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -345.514725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.514725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.514725 (E_RNA)
where:
Base-Base interactions energy: -227.645
where: short stacking energy: -99.482
Base-Backbone interact. energy: -0.330
local terms energy: -117.540484
where:
bonds (distance) C4'-P energy: -24.281
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -31.870
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: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -327.447554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.447554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.447554 (E_RNA)
where:
Base-Base interactions energy: -220.621
where: short stacking energy: -96.869
Base-Backbone interact. energy: -2.206
local terms energy: -104.620522
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -29.389
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: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -321.710773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.710773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.710773 (E_RNA)
where:
Base-Base interactions energy: -212.833
where: short stacking energy: -97.755
Base-Backbone interact. energy: 0.107
local terms energy: -108.985024
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -27.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -275.461046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.461046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.461046 (E_RNA)
where:
Base-Base interactions energy: -175.241
where: short stacking energy: -78.929
Base-Backbone interact. energy: 0.634
local terms energy: -100.853537
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -26.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -316.617851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.617851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.617851 (E_RNA)
where:
Base-Base interactions energy: -216.956
where: short stacking energy: -89.922
Base-Backbone interact. energy: -0.230
local terms energy: -99.432297
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -28.951
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: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -253.249852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.249852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.249852 (E_RNA)
where:
Base-Base interactions energy: -161.537
where: short stacking energy: -86.001
Base-Backbone interact. energy: -0.291
local terms energy: -91.421730
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -20.669
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: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -252.130398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.130398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.130398 (E_RNA)
where:
Base-Base interactions energy: -158.168
where: short stacking energy: -80.887
Base-Backbone interact. energy: -0.348
local terms energy: -93.614428
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -22.762
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -21.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -122.910131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.910131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.910131 (E_RNA)
where:
Base-Base interactions energy: -47.916
where: short stacking energy: -47.345
Base-Backbone interact. energy: -0.016
local terms energy: -74.978072
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -21.825
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -108.760955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.760955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.760955 (E_RNA)
where:
Base-Base interactions energy: -34.029
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.116
local terms energy: -74.616663
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -103.895712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.895712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.895712 (E_RNA)
where:
Base-Base interactions energy: -43.503
where: short stacking energy: -41.746
Base-Backbone interact. energy: 3.107
local terms energy: -63.499292
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -344.768436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.768436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.768436 (E_RNA)
where:
Base-Base interactions energy: -230.640
where: short stacking energy: -105.381
Base-Backbone interact. energy: -1.639
local terms energy: -112.489898
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -31.895
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: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -342.491082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.491082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.491082 (E_RNA)
where:
Base-Base interactions energy: -228.164
where: short stacking energy: -103.705
Base-Backbone interact. energy: -0.903
local terms energy: -113.424722
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -31.189
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: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -340.077025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.077025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.077025 (E_RNA)
where:
Base-Base interactions energy: -231.501
where: short stacking energy: -98.320
Base-Backbone interact. energy: -2.243
local terms energy: -106.332982
where:
bonds (distance) C4'-P energy: -22.655
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -29.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -324.413777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.413777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.413777 (E_RNA)
where:
Base-Base interactions energy: -222.122
where: short stacking energy: -101.636
Base-Backbone interact. energy: -0.465
local terms energy: -101.827426
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -27.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -280.727158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.727158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.727158 (E_RNA)
where:
Base-Base interactions energy: -181.959
where: short stacking energy: -82.398
Base-Backbone interact. energy: -1.810
local terms energy: -96.958260
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -25.185
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: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -247.761671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.761671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.761671 (E_RNA)
where:
Base-Base interactions energy: -154.906
where: short stacking energy: -73.484
Base-Backbone interact. energy: -0.268
local terms energy: -92.587628
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -238.133859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.133859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.133859 (E_RNA)
where:
Base-Base interactions energy: -144.540
where: short stacking energy: -67.092
Base-Backbone interact. energy: -0.699
local terms energy: -92.894448
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -121.901924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.901924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.901924 (E_RNA)
where:
Base-Base interactions energy: -46.100
where: short stacking energy: -46.100
Base-Backbone interact. energy: -0.163
local terms energy: -75.639099
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -13.241
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: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -103.127768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.127768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.127768 (E_RNA)
where:
Base-Base interactions energy: -37.436
where: short stacking energy: -36.398
Base-Backbone interact. energy: 0.740
local terms energy: -66.431425
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: 0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -111.806683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.806683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.806683 (E_RNA)
where:
Base-Base interactions energy: -46.356
where: short stacking energy: -29.273
Base-Backbone interact. energy: 1.748
local terms energy: -67.198447
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -345.127392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.127392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.127392 (E_RNA)
where:
Base-Base interactions energy: -232.337
where: short stacking energy: -107.791
Base-Backbone interact. energy: -0.243
local terms energy: -112.546746
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -32.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -338.273138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.273138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.273138 (E_RNA)
where:
Base-Base interactions energy: -221.958
where: short stacking energy: -102.293
Base-Backbone interact. energy: -0.598
local terms energy: -115.717742
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -30.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -333.454323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.454323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.454323 (E_RNA)
where:
Base-Base interactions energy: -222.010
where: short stacking energy: -103.700
Base-Backbone interact. energy: -0.891
local terms energy: -110.552986
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -33.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -335.232081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.232081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.232081 (E_RNA)
where:
Base-Base interactions energy: -224.525
where: short stacking energy: -100.367
Base-Backbone interact. energy: -0.862
local terms energy: -109.845406
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -32.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -250.523768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.523768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.523768 (E_RNA)
where:
Base-Base interactions energy: -163.285
where: short stacking energy: -83.747
Base-Backbone interact. energy: -0.799
local terms energy: -86.439016
where:
bonds (distance) C4'-P energy: -6.796
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -24.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -253.885678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.885678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.885678 (E_RNA)
where:
Base-Base interactions energy: -160.245
where: short stacking energy: -78.457
Base-Backbone interact. energy: -0.417
local terms energy: -93.223031
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -21.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -248.231989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.231989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.231989 (E_RNA)
where:
Base-Base interactions energy: -149.388
where: short stacking energy: -78.025
Base-Backbone interact. energy: -0.318
local terms energy: -98.526100
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -115.624910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.624910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.624910 (E_RNA)
where:
Base-Base interactions energy: -40.998
where: short stacking energy: -41.098
Base-Backbone interact. energy: 0.214
local terms energy: -74.840883
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -113.784461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.784461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.784461 (E_RNA)
where:
Base-Base interactions energy: -37.834
where: short stacking energy: -37.834
Base-Backbone interact. energy: -0.162
local terms energy: -75.788540
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -7.083
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: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -103.864580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.864580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.864580 (E_RNA)
where:
Base-Base interactions energy: -38.614
where: short stacking energy: -37.659
Base-Backbone interact. energy: -0.282
local terms energy: -64.969361
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -4.244
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: 349
Temperature: 0.900000
Total energy: -339.608511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.608511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.608511 (E_RNA)
where:
Base-Base interactions energy: -225.045
where: short stacking energy: -90.167
Base-Backbone interact. energy: -0.174
local terms energy: -114.389718
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -29.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -339.487293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.487293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.487293 (E_RNA)
where:
Base-Base interactions energy: -227.860
where: short stacking energy: -97.786
Base-Backbone interact. energy: -0.404
local terms energy: -111.223529
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -34.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -324.446370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.446370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.446370 (E_RNA)
where:
Base-Base interactions energy: -217.558
where: short stacking energy: -95.604
Base-Backbone interact. energy: -0.657
local terms energy: -106.231379
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -30.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -330.374754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.374754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.374754 (E_RNA)
where:
Base-Base interactions energy: -221.851
where: short stacking energy: -105.169
Base-Backbone interact. energy: -0.009
local terms energy: -108.514532
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -21.652
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -34.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -256.982400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.982400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.982400 (E_RNA)
where:
Base-Base interactions energy: -165.670
where: short stacking energy: -82.172
Base-Backbone interact. energy: -0.183
local terms energy: -91.130048
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -14.702
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: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -260.619421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.619421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.619421 (E_RNA)
where:
Base-Base interactions energy: -161.152
where: short stacking energy: -80.897
Base-Backbone interact. energy: 0.022
local terms energy: -99.489218
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -244.619453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.619453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.619453 (E_RNA)
where:
Base-Base interactions energy: -152.190
where: short stacking energy: -76.256
Base-Backbone interact. energy: -0.740
local terms energy: -91.689575
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -11.578
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: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -154.376291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.376291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.376291 (E_RNA)
where:
Base-Base interactions energy: -89.677
where: short stacking energy: -58.195
Base-Backbone interact. energy: -0.227
local terms energy: -64.472946
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -113.129231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.129231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.129231 (E_RNA)
where:
Base-Base interactions energy: -45.120
where: short stacking energy: -40.927
Base-Backbone interact. energy: -0.584
local terms energy: -67.424719
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -110.714793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714793 (E_RNA)
where:
Base-Base interactions energy: -32.086
where: short stacking energy: -32.086
Base-Backbone interact. energy: -0.026
local terms energy: -78.602392
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -348.553272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.553272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.553272 (E_RNA)
where:
Base-Base interactions energy: -229.227
where: short stacking energy: -98.539
Base-Backbone interact. energy: -0.067
local terms energy: -119.259399
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -24.737
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -31.405
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: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -333.041254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.041254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.041254 (E_RNA)
where:
Base-Base interactions energy: -225.690
where: short stacking energy: -100.902
Base-Backbone interact. energy: -0.778
local terms energy: -106.572995
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -20.434
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -31.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -335.065942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.065942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.065942 (E_RNA)
where:
Base-Base interactions energy: -219.650
where: short stacking energy: -101.206
Base-Backbone interact. energy: -3.334
local terms energy: -112.082303
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -31.673
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: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -320.798406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.798406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.798406 (E_RNA)
where:
Base-Base interactions energy: -216.018
where: short stacking energy: -96.092
Base-Backbone interact. energy: -0.446
local terms energy: -104.334859
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -26.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -266.747932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.747932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.747932 (E_RNA)
where:
Base-Base interactions energy: -168.620
where: short stacking energy: -85.233
Base-Backbone interact. energy: 0.318
local terms energy: -98.446506
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -24.237
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: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -268.045667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.045667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.045667 (E_RNA)
where:
Base-Base interactions energy: -164.990
where: short stacking energy: -83.224
Base-Backbone interact. energy: -1.355
local terms energy: -101.700526
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -245.069403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.069403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.069403 (E_RNA)
where:
Base-Base interactions energy: -154.812
where: short stacking energy: -65.281
Base-Backbone interact. energy: -0.181
local terms energy: -90.075985
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -8.252
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: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -152.563652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.563652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.563652 (E_RNA)
where:
Base-Base interactions energy: -76.713
where: short stacking energy: -47.782
Base-Backbone interact. energy: 2.096
local terms energy: -77.947349
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -6.221
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: 350
Temperature: 1.300000
Total energy: -116.733929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.733929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.733929 (E_RNA)
where:
Base-Base interactions energy: -43.504
where: short stacking energy: -43.604
Base-Backbone interact. energy: -0.133
local terms energy: -73.097775
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -14.745
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: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -103.825631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.825631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.825631 (E_RNA)
where:
Base-Base interactions energy: -39.997
where: short stacking energy: -36.086
Base-Backbone interact. energy: -0.028
local terms energy: -63.800457
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -3.747
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: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -350.569901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.569901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.569901 (E_RNA)
where:
Base-Base interactions energy: -234.079
where: short stacking energy: -110.797
Base-Backbone interact. energy: -1.536
local terms energy: -114.955096
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -20.912
tors. eta vs tors. theta energy: -33.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -340.575917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.575917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.575917 (E_RNA)
where:
Base-Base interactions energy: -226.507
where: short stacking energy: -108.552
Base-Backbone interact. energy: -0.551
local terms energy: -113.518508
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -32.570
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: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -333.848941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.848941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.848941 (E_RNA)
where:
Base-Base interactions energy: -223.965
where: short stacking energy: -94.757
Base-Backbone interact. energy: -0.212
local terms energy: -109.672261
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -31.289
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: 351
Temperature: 1.050000
Total energy: -332.805984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.805984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.805984 (E_RNA)
where:
Base-Base interactions energy: -230.127
where: short stacking energy: -100.932
Base-Backbone interact. energy: -1.334
local terms energy: -101.344454
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -26.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -256.272409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.272409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.272409 (E_RNA)
where:
Base-Base interactions energy: -158.317
where: short stacking energy: -70.045
Base-Backbone interact. energy: -0.953
local terms energy: -97.002677
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -21.420
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: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -243.061173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.061173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.061173 (E_RNA)
where:
Base-Base interactions energy: -147.044
where: short stacking energy: -79.157
Base-Backbone interact. energy: -0.157
local terms energy: -95.860902
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -248.298448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.298448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.298448 (E_RNA)
where:
Base-Base interactions energy: -156.696
where: short stacking energy: -76.809
Base-Backbone interact. energy: -0.182
local terms energy: -91.419933
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -177.408524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.408524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.408524 (E_RNA)
where:
Base-Base interactions energy: -101.465
where: short stacking energy: -53.755
Base-Backbone interact. energy: 1.086
local terms energy: -77.029754
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -101.372357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.372357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.372357 (E_RNA)
where:
Base-Base interactions energy: -33.892
where: short stacking energy: -31.432
Base-Backbone interact. energy: -0.469
local terms energy: -67.011060
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -93.638031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.638031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.638031 (E_RNA)
where:
Base-Base interactions energy: -35.172
where: short stacking energy: -27.151
Base-Backbone interact. energy: 0.327
local terms energy: -58.793389
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: 6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -340.634308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.634308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.634308 (E_RNA)
where:
Base-Base interactions energy: -228.175
where: short stacking energy: -101.281
Base-Backbone interact. energy: -0.212
local terms energy: -112.246924
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -33.856
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: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -342.485676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.485676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.485676 (E_RNA)
where:
Base-Base interactions energy: -229.237
where: short stacking energy: -96.737
Base-Backbone interact. energy: -0.116
local terms energy: -113.132590
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -28.529
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: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -331.000730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.000730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.000730 (E_RNA)
where:
Base-Base interactions energy: -221.324
where: short stacking energy: -93.606
Base-Backbone interact. energy: -0.907
local terms energy: -108.769728
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -28.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -326.472760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.472760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.472760 (E_RNA)
where:
Base-Base interactions energy: -216.254
where: short stacking energy: -101.984
Base-Backbone interact. energy: -2.416
local terms energy: -107.803159
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -31.392
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: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -269.349568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.349568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.349568 (E_RNA)
where:
Base-Base interactions energy: -171.000
where: short stacking energy: -83.458
Base-Backbone interact. energy: -0.008
local terms energy: -98.340863
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -22.019
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -26.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -252.358079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.358079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.358079 (E_RNA)
where:
Base-Base interactions energy: -149.708
where: short stacking energy: -84.597
Base-Backbone interact. energy: -0.232
local terms energy: -102.417486
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -25.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -233.397588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.397588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.397588 (E_RNA)
where:
Base-Base interactions energy: -143.827
where: short stacking energy: -73.503
Base-Backbone interact. energy: -0.973
local terms energy: -88.597485
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -168.166465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.166465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.166465 (E_RNA)
where:
Base-Base interactions energy: -96.746
where: short stacking energy: -55.486
Base-Backbone interact. energy: -0.119
local terms energy: -71.301153
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -13.374
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: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -121.269001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.269001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.269001 (E_RNA)
where:
Base-Base interactions energy: -53.219
where: short stacking energy: -52.403
Base-Backbone interact. energy: 0.500
local terms energy: -68.549987
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -15.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -124.043780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.043780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.043780 (E_RNA)
where:
Base-Base interactions energy: -58.750
where: short stacking energy: -43.565
Base-Backbone interact. energy: -0.604
local terms energy: -64.689779
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -347.745415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.745415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.745415 (E_RNA)
where:
Base-Base interactions energy: -232.822
where: short stacking energy: -101.058
Base-Backbone interact. energy: -0.762
local terms energy: -114.161519
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -34.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -335.865519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.865519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.865519 (E_RNA)
where:
Base-Base interactions energy: -224.611
where: short stacking energy: -104.050
Base-Backbone interact. energy: -0.000
local terms energy: -111.253824
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -30.805
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: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -322.252155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.252155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.252155 (E_RNA)
where:
Base-Base interactions energy: -223.440
where: short stacking energy: -97.330
Base-Backbone interact. energy: -0.302
local terms energy: -98.510778
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -30.509
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: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -316.957489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.957489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.957489 (E_RNA)
where:
Base-Base interactions energy: -208.830
where: short stacking energy: -93.687
Base-Backbone interact. energy: -2.598
local terms energy: -105.529516
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -29.370
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: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -256.064849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.064849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.064849 (E_RNA)
where:
Base-Base interactions energy: -152.714
where: short stacking energy: -73.640
Base-Backbone interact. energy: -0.057
local terms energy: -103.294309
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -20.964
flat angles P-C4'-P energy: -16.200
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: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -247.642303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.642303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.642303 (E_RNA)
where:
Base-Base interactions energy: -145.224
where: short stacking energy: -70.759
Base-Backbone interact. energy: 0.094
local terms energy: -102.511471
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -248.757845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.757845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.757845 (E_RNA)
where:
Base-Base interactions energy: -161.896
where: short stacking energy: -84.165
Base-Backbone interact. energy: -0.060
local terms energy: -86.802081
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -21.386
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: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -163.736522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.736522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.736522 (E_RNA)
where:
Base-Base interactions energy: -92.812
where: short stacking energy: -48.222
Base-Backbone interact. energy: -1.548
local terms energy: -69.376531
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -115.670110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.670110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.670110 (E_RNA)
where:
Base-Base interactions energy: -47.270
where: short stacking energy: -45.636
Base-Backbone interact. energy: -0.198
local terms energy: -68.202165
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -92.248301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.248301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.248301 (E_RNA)
where:
Base-Base interactions energy: -32.915
where: short stacking energy: -23.640
Base-Backbone interact. energy: -0.885
local terms energy: -58.448064
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: 4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -343.061367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.061367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.061367 (E_RNA)
where:
Base-Base interactions energy: -225.783
where: short stacking energy: -101.860
Base-Backbone interact. energy: -0.599
local terms energy: -116.679668
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -24.232
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -30.227
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: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -353.206281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.206281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.206281 (E_RNA)
where:
Base-Base interactions energy: -238.260
where: short stacking energy: -105.138
Base-Backbone interact. energy: -1.884
local terms energy: -113.062114
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -33.795
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: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -313.417173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.417173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.417173 (E_RNA)
where:
Base-Base interactions energy: -207.365
where: short stacking energy: -84.699
Base-Backbone interact. energy: -0.418
local terms energy: -105.634971
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -24.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -335.644769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.644769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.644769 (E_RNA)
where:
Base-Base interactions energy: -226.696
where: short stacking energy: -100.619
Base-Backbone interact. energy: -0.159
local terms energy: -108.789946
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -31.495
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: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -278.935166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.935166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.935166 (E_RNA)
where:
Base-Base interactions energy: -181.781
where: short stacking energy: -97.276
Base-Backbone interact. energy: -0.002
local terms energy: -97.151779
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -27.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -250.255188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.255188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.255188 (E_RNA)
where:
Base-Base interactions energy: -162.297
where: short stacking energy: -84.178
Base-Backbone interact. energy: -0.081
local terms energy: -87.877628
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -21.684
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: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -241.042686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.042686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.042686 (E_RNA)
where:
Base-Base interactions energy: -147.237
where: short stacking energy: -64.659
Base-Backbone interact. energy: -1.197
local terms energy: -92.608608
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -15.762
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: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -206.194399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.194399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.194399 (E_RNA)
where:
Base-Base interactions energy: -123.751
where: short stacking energy: -60.583
Base-Backbone interact. energy: -0.096
local terms energy: -82.347143
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -10.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -123.762763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.762763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.762763 (E_RNA)
where:
Base-Base interactions energy: -47.079
where: short stacking energy: -47.064
Base-Backbone interact. energy: -0.172
local terms energy: -76.511408
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -117.008213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.008213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.008213 (E_RNA)
where:
Base-Base interactions energy: -46.554
where: short stacking energy: -32.800
Base-Backbone interact. energy: -1.177
local terms energy: -69.276777
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -342.437316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.437316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.437316 (E_RNA)
where:
Base-Base interactions energy: -232.503
where: short stacking energy: -104.619
Base-Backbone interact. energy: -0.515
local terms energy: -109.419796
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -23.437
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -32.340
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: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -332.644688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.644688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.644688 (E_RNA)
where:
Base-Base interactions energy: -225.623
where: short stacking energy: -105.328
Base-Backbone interact. energy: -0.594
local terms energy: -106.427024
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -33.118
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: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -335.170857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.170857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.170857 (E_RNA)
where:
Base-Base interactions energy: -222.000
where: short stacking energy: -98.866
Base-Backbone interact. energy: -0.271
local terms energy: -112.900455
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -31.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -325.846231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.846231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.846231 (E_RNA)
where:
Base-Base interactions energy: -216.166
where: short stacking energy: -88.924
Base-Backbone interact. energy: -1.264
local terms energy: -108.416387
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -27.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -261.314979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.314979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.314979 (E_RNA)
where:
Base-Base interactions energy: -172.461
where: short stacking energy: -87.548
Base-Backbone interact. energy: -0.463
local terms energy: -88.390590
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -25.061
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: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -246.627816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.627816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.627816 (E_RNA)
where:
Base-Base interactions energy: -148.274
where: short stacking energy: -79.330
Base-Backbone interact. energy: -0.123
local terms energy: -98.230937
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -18.243
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: 7, replica: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -239.548750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.548750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.548750 (E_RNA)
where:
Base-Base interactions energy: -147.434
where: short stacking energy: -73.905
Base-Backbone interact. energy: -0.232
local terms energy: -91.882840
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -209.232109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.232109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.232109 (E_RNA)
where:
Base-Base interactions energy: -125.624
where: short stacking energy: -56.517
Base-Backbone interact. energy: -0.130
local terms energy: -83.478272
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -16.415
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: 355
Temperature: 1.300000
Total energy: -102.428421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.428421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.428421 (E_RNA)
where:
Base-Base interactions energy: -34.021
where: short stacking energy: -21.377
Base-Backbone interact. energy: -0.417
local terms energy: -67.989766
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -107.199230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.199230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.199230 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -35.664
Base-Backbone interact. energy: -0.601
local terms energy: -69.338398
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -341.463533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.463533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.463533 (E_RNA)
where:
Base-Base interactions energy: -232.758
where: short stacking energy: -102.234
Base-Backbone interact. energy: -0.415
local terms energy: -108.291329
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -34.098
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: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -337.003503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.003503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.003503 (E_RNA)
where:
Base-Base interactions energy: -226.401
where: short stacking energy: -96.467
Base-Backbone interact. energy: -0.014
local terms energy: -110.588321
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -30.540
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: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -333.958510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.958510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.958510 (E_RNA)
where:
Base-Base interactions energy: -225.848
where: short stacking energy: -91.693
Base-Backbone interact. energy: -1.881
local terms energy: -106.229625
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -27.861
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: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -326.520950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.520950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.520950 (E_RNA)
where:
Base-Base interactions energy: -215.429
where: short stacking energy: -90.164
Base-Backbone interact. energy: -1.334
local terms energy: -109.757907
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -30.965
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: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -278.535685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.535685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.535685 (E_RNA)
where:
Base-Base interactions energy: -180.478
where: short stacking energy: -93.017
Base-Backbone interact. energy: 0.903
local terms energy: -98.960546
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -25.270
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -23.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -226.739107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.739107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.739107 (E_RNA)
where:
Base-Base interactions energy: -134.541
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.395
local terms energy: -91.803380
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -12.776
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: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -231.123333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.123333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.123333 (E_RNA)
where:
Base-Base interactions energy: -137.637
where: short stacking energy: -68.553
Base-Backbone interact. energy: -0.094
local terms energy: -93.392225
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -218.613123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.613123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.613123 (E_RNA)
where:
Base-Base interactions energy: -145.399
where: short stacking energy: -62.947
Base-Backbone interact. energy: 0.949
local terms energy: -74.162655
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -105.966172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.966172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.966172 (E_RNA)
where:
Base-Base interactions energy: -40.590
where: short stacking energy: -36.761
Base-Backbone interact. energy: 0.332
local terms energy: -65.707857
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -104.128913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.128913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.128913 (E_RNA)
where:
Base-Base interactions energy: -36.988
where: short stacking energy: -26.891
Base-Backbone interact. energy: -0.489
local terms energy: -66.651123
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -22.547
flat angles P-C4'-P energy: -11.472
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: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -347.188596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.188596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.188596 (E_RNA)
where:
Base-Base interactions energy: -233.063
where: short stacking energy: -105.865
Base-Backbone interact. energy: -1.206
local terms energy: -112.919710
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -24.759
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -32.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -335.968249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.968249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.968249 (E_RNA)
where:
Base-Base interactions energy: -219.727
where: short stacking energy: -96.449
Base-Backbone interact. energy: -1.416
local terms energy: -114.825496
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -30.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -337.213256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.213256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.213256 (E_RNA)
where:
Base-Base interactions energy: -233.992
where: short stacking energy: -100.891
Base-Backbone interact. energy: -0.022
local terms energy: -103.198685
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -31.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -321.647839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.647839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.647839 (E_RNA)
where:
Base-Base interactions energy: -214.359
where: short stacking energy: -92.164
Base-Backbone interact. energy: -1.017
local terms energy: -106.271784
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -33.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -263.464291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.464291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.464291 (E_RNA)
where:
Base-Base interactions energy: -172.763
where: short stacking energy: -92.524
Base-Backbone interact. energy: -0.559
local terms energy: -90.142095
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -239.660035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.660035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.660035 (E_RNA)
where:
Base-Base interactions energy: -154.626
where: short stacking energy: -74.104
Base-Backbone interact. energy: -0.689
local terms energy: -84.345358
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -21.008
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -246.818283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.818283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.818283 (E_RNA)
where:
Base-Base interactions energy: -153.144
where: short stacking energy: -75.633
Base-Backbone interact. energy: -0.537
local terms energy: -93.137053
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -227.043517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.043517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.043517 (E_RNA)
where:
Base-Base interactions energy: -142.069
where: short stacking energy: -67.217
Base-Backbone interact. energy: -0.186
local terms energy: -84.788863
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -109.915593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.915593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.915593 (E_RNA)
where:
Base-Base interactions energy: -50.104
where: short stacking energy: -42.626
Base-Backbone interact. energy: -1.334
local terms energy: -58.478238
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -104.115726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.115726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.115726 (E_RNA)
where:
Base-Base interactions energy: -49.308
where: short stacking energy: -45.321
Base-Backbone interact. energy: -0.463
local terms energy: -54.345370
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -8.161
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: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -343.234258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.234258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.234258 (E_RNA)
where:
Base-Base interactions energy: -235.805
where: short stacking energy: -98.098
Base-Backbone interact. energy: -0.409
local terms energy: -107.020693
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -30.037
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: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -346.779991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.779991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.779991 (E_RNA)
where:
Base-Base interactions energy: -237.717
where: short stacking energy: -103.459
Base-Backbone interact. energy: -1.295
local terms energy: -107.768710
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -28.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -322.989508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.989508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.989508 (E_RNA)
where:
Base-Base interactions energy: -220.999
where: short stacking energy: -100.084
Base-Backbone interact. energy: -0.931
local terms energy: -101.059520
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -27.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -335.532999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.532999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.532999 (E_RNA)
where:
Base-Base interactions energy: -218.883
where: short stacking energy: -96.388
Base-Backbone interact. energy: -0.004
local terms energy: -116.646120
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -25.715
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -31.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -263.301010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.301010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.301010 (E_RNA)
where:
Base-Base interactions energy: -169.128
where: short stacking energy: -79.977
Base-Backbone interact. energy: -0.813
local terms energy: -93.360368
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -231.069315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.069315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.069315 (E_RNA)
where:
Base-Base interactions energy: -144.536
where: short stacking energy: -72.704
Base-Backbone interact. energy: -0.668
local terms energy: -85.865371
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -246.520508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.520508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.520508 (E_RNA)
where:
Base-Base interactions energy: -162.423
where: short stacking energy: -84.073
Base-Backbone interact. energy: -0.065
local terms energy: -84.031827
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -172.543355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.543355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.543355 (E_RNA)
where:
Base-Base interactions energy: -104.702
where: short stacking energy: -45.737
Base-Backbone interact. energy: -1.012
local terms energy: -66.830109
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -109.680424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.680424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.680424 (E_RNA)
where:
Base-Base interactions energy: -49.797
where: short stacking energy: -29.807
Base-Backbone interact. energy: -0.492
local terms energy: -59.391480
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: 2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -108.364028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.364028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.364028 (E_RNA)
where:
Base-Base interactions energy: -37.244
where: short stacking energy: -36.733
Base-Backbone interact. energy: -0.254
local terms energy: -70.865910
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -350.652702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.652702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.652702 (E_RNA)
where:
Base-Base interactions energy: -235.803
where: short stacking energy: -103.925
Base-Backbone interact. energy: -1.663
local terms energy: -113.186950
where:
bonds (distance) C4'-P energy: -22.233
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -18.619
tors. eta vs tors. theta energy: -32.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -345.617345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.617345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.617345 (E_RNA)
where:
Base-Base interactions energy: -234.621
where: short stacking energy: -93.775
Base-Backbone interact. energy: -1.441
local terms energy: -109.555838
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -31.711
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: 3, replica: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -327.743868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.743868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.743868 (E_RNA)
where:
Base-Base interactions energy: -218.304
where: short stacking energy: -100.019
Base-Backbone interact. energy: 0.190
local terms energy: -109.630619
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -32.523
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: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -327.132109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.132109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.132109 (E_RNA)
where:
Base-Base interactions energy: -218.790
where: short stacking energy: -96.587
Base-Backbone interact. energy: -1.931
local terms energy: -106.411140
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -29.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -259.170667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.170667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.170667 (E_RNA)
where:
Base-Base interactions energy: -161.439
where: short stacking energy: -74.337
Base-Backbone interact. energy: -0.806
local terms energy: -96.925706
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -18.610
tors. eta vs tors. theta energy: -20.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -264.729687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.729687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.729687 (E_RNA)
where:
Base-Base interactions energy: -165.582
where: short stacking energy: -82.838
Base-Backbone interact. energy: -0.090
local terms energy: -99.057492
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -22.404
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: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -211.927044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.927044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.927044 (E_RNA)
where:
Base-Base interactions energy: -135.689
where: short stacking energy: -58.885
Base-Backbone interact. energy: -0.474
local terms energy: -75.763541
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -166.216280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.216280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.216280 (E_RNA)
where:
Base-Base interactions energy: -90.073
where: short stacking energy: -51.283
Base-Backbone interact. energy: -0.380
local terms energy: -75.763446
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -110.985224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.985224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.985224 (E_RNA)
where:
Base-Base interactions energy: -42.226
where: short stacking energy: -42.226
Base-Backbone interact. energy: -0.214
local terms energy: -68.545557
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -10.548
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: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -100.663541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.663541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.663541 (E_RNA)
where:
Base-Base interactions energy: -34.012
where: short stacking energy: -30.349
Base-Backbone interact. energy: 0.218
local terms energy: -66.869901
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -20.098
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -337.906153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.906153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.906153 (E_RNA)
where:
Base-Base interactions energy: -224.400
where: short stacking energy: -98.666
Base-Backbone interact. energy: -0.812
local terms energy: -112.694356
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -34.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -337.136402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.136402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.136402 (E_RNA)
where:
Base-Base interactions energy: -223.242
where: short stacking energy: -84.826
Base-Backbone interact. energy: -1.340
local terms energy: -112.554009
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -28.763
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: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -335.683918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.683918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.683918 (E_RNA)
where:
Base-Base interactions energy: -232.821
where: short stacking energy: -101.133
Base-Backbone interact. energy: -1.035
local terms energy: -101.827738
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -19.631
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -30.684
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: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -323.577841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.577841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.577841 (E_RNA)
where:
Base-Base interactions energy: -215.028
where: short stacking energy: -91.287
Base-Backbone interact. energy: -2.381
local terms energy: -106.168600
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -21.431
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -30.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -268.104506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.104506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.104506 (E_RNA)
where:
Base-Base interactions energy: -177.268
where: short stacking energy: -85.667
Base-Backbone interact. energy: -0.121
local terms energy: -90.715604
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -22.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -250.304699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.304699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.304699 (E_RNA)
where:
Base-Base interactions energy: -160.201
where: short stacking energy: -80.011
Base-Backbone interact. energy: -0.218
local terms energy: -89.886354
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -22.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -172.604103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.604103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.604103 (E_RNA)
where:
Base-Base interactions energy: -108.668
where: short stacking energy: -64.647
Base-Backbone interact. energy: -0.026
local terms energy: -63.910161
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -4.831
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: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -232.905783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.905783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.905783 (E_RNA)
where:
Base-Base interactions energy: -146.310
where: short stacking energy: -79.463
Base-Backbone interact. energy: 3.210
local terms energy: -89.805895
where:
bonds (distance) C4'-P energy: -21.528
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -115.298264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.298264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.298264 (E_RNA)
where:
Base-Base interactions energy: -46.770
where: short stacking energy: -34.073
Base-Backbone interact. energy: -0.096
local terms energy: -68.431561
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -6.770
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: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -106.858146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.858146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.858146 (E_RNA)
where:
Base-Base interactions energy: -46.114
where: short stacking energy: -33.723
Base-Backbone interact. energy: 0.472
local terms energy: -61.216286
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -10.495
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: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -338.149295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.149295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.149295 (E_RNA)
where:
Base-Base interactions energy: -218.814
where: short stacking energy: -97.291
Base-Backbone interact. energy: -1.547
local terms energy: -117.787651
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -31.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -337.917598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.917598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.917598 (E_RNA)
where:
Base-Base interactions energy: -222.201
where: short stacking energy: -102.076
Base-Backbone interact. energy: -1.025
local terms energy: -114.691879
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -33.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -350.332736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.332736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.332736 (E_RNA)
where:
Base-Base interactions energy: -232.264
where: short stacking energy: -110.725
Base-Backbone interact. energy: -0.661
local terms energy: -117.407532
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -34.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -313.354207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.354207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.354207 (E_RNA)
where:
Base-Base interactions energy: -209.307
where: short stacking energy: -89.878
Base-Backbone interact. energy: -0.425
local terms energy: -103.621947
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -30.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -256.274561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.274561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.274561 (E_RNA)
where:
Base-Base interactions energy: -170.872
where: short stacking energy: -71.292
Base-Backbone interact. energy: -0.649
local terms energy: -84.753375
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -16.944
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -249.385504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.385504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.385504 (E_RNA)
where:
Base-Base interactions energy: -170.494
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.103
local terms energy: -78.789037
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -15.194
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: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -162.986508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.986508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.986508 (E_RNA)
where:
Base-Base interactions energy: -85.783
where: short stacking energy: -46.819
Base-Backbone interact. energy: -0.373
local terms energy: -76.830027
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -233.760667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.760667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.760667 (E_RNA)
where:
Base-Base interactions energy: -154.030
where: short stacking energy: -75.219
Base-Backbone interact. energy: -0.156
local terms energy: -79.574980
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -113.066508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.066508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.066508 (E_RNA)
where:
Base-Base interactions energy: -43.867
where: short stacking energy: -37.853
Base-Backbone interact. energy: 0.607
local terms energy: -69.806817
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -101.503065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.503065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.503065 (E_RNA)
where:
Base-Base interactions energy: -35.068
where: short stacking energy: -35.068
Base-Backbone interact. energy: 0.520
local terms energy: -66.955828
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -342.685088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.685088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.685088 (E_RNA)
where:
Base-Base interactions energy: -240.318
where: short stacking energy: -103.157
Base-Backbone interact. energy: -0.041
local terms energy: -102.325580
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -32.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -338.367517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.367517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.367517 (E_RNA)
where:
Base-Base interactions energy: -224.046
where: short stacking energy: -100.475
Base-Backbone interact. energy: -1.396
local terms energy: -112.924986
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -32.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -330.115702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.115702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.115702 (E_RNA)
where:
Base-Base interactions energy: -214.629
where: short stacking energy: -97.740
Base-Backbone interact. energy: -0.748
local terms energy: -114.738994
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -30.253
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: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -308.838557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.838557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.838557 (E_RNA)
where:
Base-Base interactions energy: -209.133
where: short stacking energy: -89.077
Base-Backbone interact. energy: -0.130
local terms energy: -99.575984
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -27.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -249.156382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.156382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.156382 (E_RNA)
where:
Base-Base interactions energy: -159.477
where: short stacking energy: -82.437
Base-Backbone interact. energy: -0.107
local terms energy: -89.571729
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -255.328202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.328202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.328202 (E_RNA)
where:
Base-Base interactions energy: -159.003
where: short stacking energy: -86.623
Base-Backbone interact. energy: -0.123
local terms energy: -96.201930
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -25.360
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: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -247.421507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.421507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.421507 (E_RNA)
where:
Base-Base interactions energy: -150.685
where: short stacking energy: -75.118
Base-Backbone interact. energy: -1.465
local terms energy: -95.271503
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -200.838740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.838740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.838740 (E_RNA)
where:
Base-Base interactions energy: -120.478
where: short stacking energy: -66.571
Base-Backbone interact. energy: -0.569
local terms energy: -79.792277
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -8.658
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: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -104.234031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.234031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.234031 (E_RNA)
where:
Base-Base interactions energy: -31.714
where: short stacking energy: -30.362
Base-Backbone interact. energy: -0.421
local terms energy: -72.098737
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -100.306366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.306366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.306366 (E_RNA)
where:
Base-Base interactions energy: -27.926
where: short stacking energy: -28.026
Base-Backbone interact. energy: -0.294
local terms energy: -72.086278
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -346.579396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.579396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.579396 (E_RNA)
where:
Base-Base interactions energy: -235.071
where: short stacking energy: -108.882
Base-Backbone interact. energy: -0.455
local terms energy: -111.053165
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -32.111
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: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -342.217425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.217425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.217425 (E_RNA)
where:
Base-Base interactions energy: -230.352
where: short stacking energy: -94.169
Base-Backbone interact. energy: -1.134
local terms energy: -110.731533
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -21.835
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -31.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -334.488014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.488014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.488014 (E_RNA)
where:
Base-Base interactions energy: -224.014
where: short stacking energy: -102.889
Base-Backbone interact. energy: -0.601
local terms energy: -109.873609
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -33.876
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: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -303.120065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.120065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.120065 (E_RNA)
where:
Base-Base interactions energy: -200.881
where: short stacking energy: -88.854
Base-Backbone interact. energy: -1.472
local terms energy: -100.767328
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -29.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -265.712414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.712414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.712414 (E_RNA)
where:
Base-Base interactions energy: -162.357
where: short stacking energy: -76.974
Base-Backbone interact. energy: -0.671
local terms energy: -102.683925
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -27.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -245.039900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.039900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.039900 (E_RNA)
where:
Base-Base interactions energy: -145.408
where: short stacking energy: -78.549
Base-Backbone interact. energy: -1.942
local terms energy: -97.689925
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -243.064650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.064650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.064650 (E_RNA)
where:
Base-Base interactions energy: -150.798
where: short stacking energy: -69.018
Base-Backbone interact. energy: 0.933
local terms energy: -93.199036
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -20.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -174.697103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.697103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.697103 (E_RNA)
where:
Base-Base interactions energy: -98.995
where: short stacking energy: -44.831
Base-Backbone interact. energy: -1.341
local terms energy: -74.361525
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -9.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -110.066418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.066418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.066418 (E_RNA)
where:
Base-Base interactions energy: -47.959
where: short stacking energy: -46.702
Base-Backbone interact. energy: 2.307
local terms energy: -64.414352
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -6.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -95.840587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.840587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.840587 (E_RNA)
where:
Base-Base interactions energy: -45.219
where: short stacking energy: -32.721
Base-Backbone interact. energy: 0.377
local terms energy: -50.998899
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -2.822
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -341.721324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.721324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.721324 (E_RNA)
where:
Base-Base interactions energy: -225.621
where: short stacking energy: -101.853
Base-Backbone interact. energy: -0.611
local terms energy: -115.488677
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -31.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -338.228672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.228672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.228672 (E_RNA)
where:
Base-Base interactions energy: -233.996
where: short stacking energy: -107.297
Base-Backbone interact. energy: -0.170
local terms energy: -104.063610
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -30.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -329.774790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.774790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.774790 (E_RNA)
where:
Base-Base interactions energy: -217.051
where: short stacking energy: -94.931
Base-Backbone interact. energy: -0.488
local terms energy: -112.235894
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -29.764
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: 364
Temperature: 1.050000
Total energy: -327.396980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.396980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.396980 (E_RNA)
where:
Base-Base interactions energy: -219.992
where: short stacking energy: -103.949
Base-Backbone interact. energy: -1.171
local terms energy: -106.234490
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -32.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -254.756206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.756206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.756206 (E_RNA)
where:
Base-Base interactions energy: -153.208
where: short stacking energy: -73.030
Base-Backbone interact. energy: -0.090
local terms energy: -101.458424
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -246.667793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.667793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.667793 (E_RNA)
where:
Base-Base interactions energy: -158.725
where: short stacking energy: -77.457
Base-Backbone interact. energy: -0.097
local terms energy: -87.845856
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -263.367875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.367875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.367875 (E_RNA)
where:
Base-Base interactions energy: -167.636
where: short stacking energy: -77.672
Base-Backbone interact. energy: -0.388
local terms energy: -95.343394
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -160.573817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.573817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.573817 (E_RNA)
where:
Base-Base interactions energy: -91.490
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.186
local terms energy: -68.898198
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -3.169
tors. eta vs tors. theta energy: -8.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -101.781627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.781627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.781627 (E_RNA)
where:
Base-Base interactions energy: -40.785
where: short stacking energy: -33.890
Base-Backbone interact. energy: -0.313
local terms energy: -60.683537
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -11.191
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: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -100.475135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.475135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.475135 (E_RNA)
where:
Base-Base interactions energy: -34.044
where: short stacking energy: -27.516
Base-Backbone interact. energy: -0.297
local terms energy: -66.134376
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -345.252901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.252901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.252901 (E_RNA)
where:
Base-Base interactions energy: -225.796
where: short stacking energy: -92.364
Base-Backbone interact. energy: 0.042
local terms energy: -119.499035
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -23.996
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -33.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -339.535598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.535598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.535598 (E_RNA)
where:
Base-Base interactions energy: -230.172
where: short stacking energy: -93.945
Base-Backbone interact. energy: -1.119
local terms energy: -108.244566
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -32.304
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: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -338.886493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.886493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.886493 (E_RNA)
where:
Base-Base interactions energy: -224.617
where: short stacking energy: -107.492
Base-Backbone interact. energy: -0.549
local terms energy: -113.720944
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -30.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -325.509730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.509730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.509730 (E_RNA)
where:
Base-Base interactions energy: -216.248
where: short stacking energy: -101.154
Base-Backbone interact. energy: -1.172
local terms energy: -108.089940
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -32.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -255.673040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.673040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.673040 (E_RNA)
where:
Base-Base interactions energy: -157.140
where: short stacking energy: -82.787
Base-Backbone interact. energy: -2.062
local terms energy: -96.471846
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -24.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -269.206831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.206831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.206831 (E_RNA)
where:
Base-Base interactions energy: -162.984
where: short stacking energy: -86.248
Base-Backbone interact. energy: -2.131
local terms energy: -104.092580
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -26.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -250.324635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.324635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.324635 (E_RNA)
where:
Base-Base interactions energy: -159.932
where: short stacking energy: -67.047
Base-Backbone interact. energy: 0.698
local terms energy: -91.089811
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -155.485913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.485913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.485913 (E_RNA)
where:
Base-Base interactions energy: -87.498
where: short stacking energy: -44.286
Base-Backbone interact. energy: -0.112
local terms energy: -67.876535
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -10.219
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: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -102.695530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.695530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.695530 (E_RNA)
where:
Base-Base interactions energy: -36.444
where: short stacking energy: -36.053
Base-Backbone interact. energy: -0.184
local terms energy: -66.068291
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -13.881
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: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -114.834320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.834320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.834320 (E_RNA)
where:
Base-Base interactions energy: -50.415
where: short stacking energy: -33.711
Base-Backbone interact. energy: 0.279
local terms energy: -64.697782
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -341.496321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.496321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.496321 (E_RNA)
where:
Base-Base interactions energy: -230.000
where: short stacking energy: -108.568
Base-Backbone interact. energy: -0.665
local terms energy: -110.831142
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -31.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -336.503292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.503292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.503292 (E_RNA)
where:
Base-Base interactions energy: -225.066
where: short stacking energy: -101.947
Base-Backbone interact. energy: -0.162
local terms energy: -111.274457
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -30.628
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: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -334.637443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.637443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.637443 (E_RNA)
where:
Base-Base interactions energy: -229.217
where: short stacking energy: -105.944
Base-Backbone interact. energy: -0.529
local terms energy: -104.890885
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -23.486
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -29.091
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: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -328.671874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.671874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.671874 (E_RNA)
where:
Base-Base interactions energy: -232.094
where: short stacking energy: -100.221
Base-Backbone interact. energy: -0.372
local terms energy: -96.206121
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -26.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -257.380773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.380773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.380773 (E_RNA)
where:
Base-Base interactions energy: -170.800
where: short stacking energy: -84.757
Base-Backbone interact. energy: -0.336
local terms energy: -86.244679
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -250.628049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.628049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.628049 (E_RNA)
where:
Base-Base interactions energy: -156.185
where: short stacking energy: -77.656
Base-Backbone interact. energy: -0.531
local terms energy: -93.911765
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -236.947439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.947439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.947439 (E_RNA)
where:
Base-Base interactions energy: -147.408
where: short stacking energy: -72.361
Base-Backbone interact. energy: -0.718
local terms energy: -88.821456
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -108.217156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.217156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.217156 (E_RNA)
where:
Base-Base interactions energy: -38.761
where: short stacking energy: -37.571
Base-Backbone interact. energy: -0.349
local terms energy: -69.108040
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -4.775
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: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -98.598949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.598949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.598949 (E_RNA)
where:
Base-Base interactions energy: -32.838
where: short stacking energy: -34.409
Base-Backbone interact. energy: -0.810
local terms energy: -64.950408
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -107.097068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.097068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.097068 (E_RNA)
where:
Base-Base interactions energy: -51.285
where: short stacking energy: -32.051
Base-Backbone interact. energy: -1.093
local terms energy: -54.718703
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -7.701
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -341.976387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.976387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.976387 (E_RNA)
where:
Base-Base interactions energy: -231.240
where: short stacking energy: -103.772
Base-Backbone interact. energy: -0.893
local terms energy: -109.843924
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -32.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -333.783692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.783692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.783692 (E_RNA)
where:
Base-Base interactions energy: -225.865
where: short stacking energy: -97.684
Base-Backbone interact. energy: -0.471
local terms energy: -107.447698
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -19.446
tors. eta vs tors. theta energy: -27.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -325.187065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.187065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.187065 (E_RNA)
where:
Base-Base interactions energy: -214.257
where: short stacking energy: -90.688
Base-Backbone interact. energy: -1.246
local terms energy: -109.684450
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -28.915
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: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -324.784809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.784809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.784809 (E_RNA)
where:
Base-Base interactions energy: -223.439
where: short stacking energy: -94.646
Base-Backbone interact. energy: -0.337
local terms energy: -101.008871
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -15.282
tors. eta vs tors. theta energy: -25.100
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: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -265.595457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.595457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.595457 (E_RNA)
where:
Base-Base interactions energy: -167.165
where: short stacking energy: -82.093
Base-Backbone interact. energy: -0.038
local terms energy: -98.391585
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -24.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -268.839402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.839402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.839402 (E_RNA)
where:
Base-Base interactions energy: -167.404
where: short stacking energy: -88.151
Base-Backbone interact. energy: -0.453
local terms energy: -100.981718
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -24.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -248.793619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.793619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.793619 (E_RNA)
where:
Base-Base interactions energy: -160.016
where: short stacking energy: -82.732
Base-Backbone interact. energy: -0.079
local terms energy: -88.698831
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -23.531
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -22.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -118.557724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.557724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.557724 (E_RNA)
where:
Base-Base interactions energy: -28.615
where: short stacking energy: -26.598
Base-Backbone interact. energy: -0.972
local terms energy: -88.970443
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -25.791
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -12.032
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: 9, replica: 2
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -110.595111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.595111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.595111 (E_RNA)
where:
Base-Base interactions energy: -44.709
where: short stacking energy: -44.709
Base-Backbone interact. energy: -0.019
local terms energy: -65.867061
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -102.437840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.437840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.437840 (E_RNA)
where:
Base-Base interactions energy: -35.985
where: short stacking energy: -33.924
Base-Backbone interact. energy: 0.769
local terms energy: -67.221842
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -344.476498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.476498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.476498 (E_RNA)
where:
Base-Base interactions energy: -220.653
where: short stacking energy: -98.751
Base-Backbone interact. energy: -1.577
local terms energy: -122.246626
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -26.830
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -32.284
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: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -331.742354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.742354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.742354 (E_RNA)
where:
Base-Base interactions energy: -225.467
where: short stacking energy: -105.368
Base-Backbone interact. energy: -0.509
local terms energy: -105.766426
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -22.843
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -30.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -329.750983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.750983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.750983 (E_RNA)
where:
Base-Base interactions energy: -218.782
where: short stacking energy: -98.068
Base-Backbone interact. energy: -0.818
local terms energy: -110.151039
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -18.987
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -30.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -323.469527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.469527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.469527 (E_RNA)
where:
Base-Base interactions energy: -222.689
where: short stacking energy: -97.053
Base-Backbone interact. energy: -1.034
local terms energy: -99.746446
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -30.822
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: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -272.783333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.783333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.783333 (E_RNA)
where:
Base-Base interactions energy: -174.027
where: short stacking energy: -81.521
Base-Backbone interact. energy: -0.435
local terms energy: -98.320875
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -25.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -263.083329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.083329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.083329 (E_RNA)
where:
Base-Base interactions energy: -163.679
where: short stacking energy: -76.979
Base-Backbone interact. energy: -0.290
local terms energy: -99.114236
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -24.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -241.875030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.875030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.875030 (E_RNA)
where:
Base-Base interactions energy: -159.525
where: short stacking energy: -73.931
Base-Backbone interact. energy: -0.286
local terms energy: -82.063799
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -12.051
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: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -108.334040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.334040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.334040 (E_RNA)
where:
Base-Base interactions energy: -36.890
where: short stacking energy: -36.862
Base-Backbone interact. energy: 0.097
local terms energy: -71.541566
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -112.110674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.110674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.110674 (E_RNA)
where:
Base-Base interactions energy: -46.255
where: short stacking energy: -41.463
Base-Backbone interact. energy: -0.119
local terms energy: -65.736488
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -93.145438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.145438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.145438 (E_RNA)
where:
Base-Base interactions energy: -29.477
where: short stacking energy: -29.233
Base-Backbone interact. energy: -0.411
local terms energy: -63.258047
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -0.172
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: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -344.258892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.258892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.258892 (E_RNA)
where:
Base-Base interactions energy: -227.860
where: short stacking energy: -93.021
Base-Backbone interact. energy: -1.086
local terms energy: -115.313034
where:
bonds (distance) C4'-P energy: -23.649
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -29.317
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: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -335.079390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.079390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.079390 (E_RNA)
where:
Base-Base interactions energy: -228.561
where: short stacking energy: -94.947
Base-Backbone interact. energy: -0.519
local terms energy: -105.999340
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -28.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -327.523416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.523416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.523416 (E_RNA)
where:
Base-Base interactions energy: -214.128
where: short stacking energy: -94.057
Base-Backbone interact. energy: -0.269
local terms energy: -113.125978
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -29.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -323.949846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.949846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.949846 (E_RNA)
where:
Base-Base interactions energy: -217.738
where: short stacking energy: -94.408
Base-Backbone interact. energy: -0.932
local terms energy: -105.280136
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -28.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -267.613317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.613317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.613317 (E_RNA)
where:
Base-Base interactions energy: -166.432
where: short stacking energy: -79.285
Base-Backbone interact. energy: -0.591
local terms energy: -100.590401
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -24.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -262.979935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.979935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.979935 (E_RNA)
where:
Base-Base interactions energy: -170.860
where: short stacking energy: -86.436
Base-Backbone interact. energy: -0.127
local terms energy: -91.992529
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -25.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -221.347331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.347331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.347331 (E_RNA)
where:
Base-Base interactions energy: -133.856
where: short stacking energy: -60.493
Base-Backbone interact. energy: -0.032
local terms energy: -87.459945
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -19.857
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: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -132.018890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.018890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.018890 (E_RNA)
where:
Base-Base interactions energy: -53.183
where: short stacking energy: -53.183
Base-Backbone interact. energy: -0.057
local terms energy: -78.779052
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -12.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -101.086887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.086887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.086887 (E_RNA)
where:
Base-Base interactions energy: -36.260
where: short stacking energy: -36.360
Base-Backbone interact. energy: -0.299
local terms energy: -64.527826
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -109.863057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.863057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.863057 (E_RNA)
where:
Base-Base interactions energy: -42.544
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.182
local terms energy: -67.136519
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -3.371
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -345.491211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.491211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.491211 (E_RNA)
where:
Base-Base interactions energy: -241.448
where: short stacking energy: -108.052
Base-Backbone interact. energy: -0.239
local terms energy: -103.804239
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -29.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -342.954115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.954115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.954115 (E_RNA)
where:
Base-Base interactions energy: -229.650
where: short stacking energy: -101.573
Base-Backbone interact. energy: -0.584
local terms energy: -112.720565
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -33.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -319.156203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.156203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.156203 (E_RNA)
where:
Base-Base interactions energy: -209.248
where: short stacking energy: -88.640
Base-Backbone interact. energy: -0.956
local terms energy: -108.951985
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -29.007
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: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -323.142824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.142824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.142824 (E_RNA)
where:
Base-Base interactions energy: -220.066
where: short stacking energy: -99.264
Base-Backbone interact. energy: -0.942
local terms energy: -102.134756
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -23.535
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -30.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -266.077463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.077463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.077463 (E_RNA)
where:
Base-Base interactions energy: -170.735
where: short stacking energy: -81.605
Base-Backbone interact. energy: -0.533
local terms energy: -94.808997
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -260.691787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.691787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.691787 (E_RNA)
where:
Base-Base interactions energy: -171.588
where: short stacking energy: -90.343
Base-Backbone interact. energy: -0.274
local terms energy: -88.829722
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -118.479320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.479320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.479320 (E_RNA)
where:
Base-Base interactions energy: -48.896
where: short stacking energy: -44.381
Base-Backbone interact. energy: 0.327
local terms energy: -69.910866
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -7.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -244.079734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.079734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.079734 (E_RNA)
where:
Base-Base interactions energy: -158.466
where: short stacking energy: -89.536
Base-Backbone interact. energy: -0.857
local terms energy: -84.756327
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -117.213944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.213944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.213944 (E_RNA)
where:
Base-Base interactions energy: -47.842
where: short stacking energy: -22.902
Base-Backbone interact. energy: -0.643
local terms energy: -68.728793
where:
bonds (distance) C4'-P energy: -19.956
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -11.426
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: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -102.113760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.113760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.113760 (E_RNA)
where:
Base-Base interactions energy: -37.707
where: short stacking energy: -37.542
Base-Backbone interact. energy: 1.715
local terms energy: -66.121470
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -6.600
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: 371
Temperature: 0.900000
Total energy: -334.305599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.305599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.305599 (E_RNA)
where:
Base-Base interactions energy: -219.348
where: short stacking energy: -96.989
Base-Backbone interact. energy: -1.275
local terms energy: -113.683091
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -24.887
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -29.864
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: 371
Temperature: 0.950000
Total energy: -340.413995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.413995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.413995 (E_RNA)
where:
Base-Base interactions energy: -226.915
where: short stacking energy: -105.574
Base-Backbone interact. energy: -2.811
local terms energy: -110.688209
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -19.801
tors. eta vs tors. theta energy: -30.731
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: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -325.557945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.557945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.557945 (E_RNA)
where:
Base-Base interactions energy: -219.710
where: short stacking energy: -99.707
Base-Backbone interact. energy: -0.882
local terms energy: -104.966105
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -29.136
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: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -329.882495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.882495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.882495 (E_RNA)
where:
Base-Base interactions energy: -215.505
where: short stacking energy: -93.653
Base-Backbone interact. energy: -0.435
local terms energy: -113.942551
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -31.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -281.667792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.667792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.667792 (E_RNA)
where:
Base-Base interactions energy: -189.959
where: short stacking energy: -97.362
Base-Backbone interact. energy: -1.062
local terms energy: -90.646995
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -24.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -256.277735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.277735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.277735 (E_RNA)
where:
Base-Base interactions energy: -167.430
where: short stacking energy: -76.439
Base-Backbone interact. energy: -0.801
local terms energy: -88.046474
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -15.954
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: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -119.906352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.906352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.906352 (E_RNA)
where:
Base-Base interactions energy: -49.690
where: short stacking energy: -47.978
Base-Backbone interact. energy: -0.375
local terms energy: -69.840787
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -269.956538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.956538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.956538 (E_RNA)
where:
Base-Base interactions energy: -175.004
where: short stacking energy: -88.686
Base-Backbone interact. energy: -0.003
local terms energy: -94.949153
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -28.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -94.128856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.128856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.128856 (E_RNA)
where:
Base-Base interactions energy: -29.596
where: short stacking energy: -29.596
Base-Backbone interact. energy: -0.086
local terms energy: -64.447248
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -127.415923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.415923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.415923 (E_RNA)
where:
Base-Base interactions energy: -62.046
where: short stacking energy: -35.512
Base-Backbone interact. energy: -2.099
local terms energy: -63.271632
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -8.826
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -3.054
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: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -352.142614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.142614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.142614 (E_RNA)
where:
Base-Base interactions energy: -231.525
where: short stacking energy: -101.956
Base-Backbone interact. energy: -2.177
local terms energy: -118.440832
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -33.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -342.756780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.756780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.756780 (E_RNA)
where:
Base-Base interactions energy: -222.682
where: short stacking energy: -97.489
Base-Backbone interact. energy: -1.694
local terms energy: -118.380465
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -34.187
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: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -329.307463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.307463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.307463 (E_RNA)
where:
Base-Base interactions energy: -218.577
where: short stacking energy: -89.469
Base-Backbone interact. energy: -1.648
local terms energy: -109.082930
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -30.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -315.637705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.637705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.637705 (E_RNA)
where:
Base-Base interactions energy: -216.152
where: short stacking energy: -93.633
Base-Backbone interact. energy: -0.357
local terms energy: -99.128464
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -28.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -266.325177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.325177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.325177 (E_RNA)
where:
Base-Base interactions energy: -175.251
where: short stacking energy: -77.471
Base-Backbone interact. energy: -0.428
local terms energy: -90.645733
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -255.393306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.393306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.393306 (E_RNA)
where:
Base-Base interactions energy: -157.183
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.129
local terms energy: -98.081353
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -253.708668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.708668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.708668 (E_RNA)
where:
Base-Base interactions energy: -164.782
where: short stacking energy: -79.065
Base-Backbone interact. energy: -0.526
local terms energy: -88.400371
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -122.385574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.385574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.385574 (E_RNA)
where:
Base-Base interactions energy: -51.245
where: short stacking energy: -48.851
Base-Backbone interact. energy: -0.196
local terms energy: -70.944218
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -6.726
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: 2
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -114.700475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.700475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.700475 (E_RNA)
where:
Base-Base interactions energy: -51.864
where: short stacking energy: -29.574
Base-Backbone interact. energy: -0.276
local terms energy: -62.560465
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -109.428685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.428685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.428685 (E_RNA)
where:
Base-Base interactions energy: -35.738
where: short stacking energy: -32.806
Base-Backbone interact. energy: -1.082
local terms energy: -72.609336
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -345.718738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.718738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.718738 (E_RNA)
where:
Base-Base interactions energy: -232.631
where: short stacking energy: -106.460
Base-Backbone interact. energy: -0.189
local terms energy: -112.898860
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -35.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -350.147635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.147635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.147635 (E_RNA)
where:
Base-Base interactions energy: -234.309
where: short stacking energy: -107.506
Base-Backbone interact. energy: -2.357
local terms energy: -113.481268
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -34.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -341.491074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.491074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.491074 (E_RNA)
where:
Base-Base interactions energy: -227.710
where: short stacking energy: -103.619
Base-Backbone interact. energy: -2.511
local terms energy: -111.270088
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -33.451
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: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -326.858985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.858985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.858985 (E_RNA)
where:
Base-Base interactions energy: -219.762
where: short stacking energy: -94.598
Base-Backbone interact. energy: -0.461
local terms energy: -106.636088
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -28.974
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: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -266.136686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.136686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.136686 (E_RNA)
where:
Base-Base interactions energy: -163.719
where: short stacking energy: -79.757
Base-Backbone interact. energy: -0.069
local terms energy: -102.349215
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -25.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -259.491490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.491490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.491490 (E_RNA)
where:
Base-Base interactions energy: -158.260
where: short stacking energy: -73.038
Base-Backbone interact. energy: -1.238
local terms energy: -99.993796
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -24.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -247.656799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.656799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.656799 (E_RNA)
where:
Base-Base interactions energy: -156.445
where: short stacking energy: -70.700
Base-Backbone interact. energy: -0.121
local terms energy: -91.091041
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -136.583638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.583638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.583638 (E_RNA)
where:
Base-Base interactions energy: -70.063
where: short stacking energy: -38.589
Base-Backbone interact. energy: -0.555
local terms energy: -65.965983
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -114.885486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.885486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.885486 (E_RNA)
where:
Base-Base interactions energy: -39.239
where: short stacking energy: -33.725
Base-Backbone interact. energy: 0.884
local terms energy: -76.529887
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -6.721
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: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -96.269992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.269992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.269992 (E_RNA)
where:
Base-Base interactions energy: -28.433
where: short stacking energy: -27.844
Base-Backbone interact. energy: 0.116
local terms energy: -67.953882
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -1.111
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: 1, replica: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -346.235195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.235195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.235195 (E_RNA)
where:
Base-Base interactions energy: -227.871
where: short stacking energy: -99.932
Base-Backbone interact. energy: -2.204
local terms energy: -116.160058
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -33.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -336.738299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.738299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.738299 (E_RNA)
where:
Base-Base interactions energy: -226.323
where: short stacking energy: -99.996
Base-Backbone interact. energy: -0.347
local terms energy: -110.068838
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -32.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -335.395019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.395019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.395019 (E_RNA)
where:
Base-Base interactions energy: -222.173
where: short stacking energy: -96.215
Base-Backbone interact. energy: -0.692
local terms energy: -112.529249
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -31.072
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: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -314.159273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.159273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.159273 (E_RNA)
where:
Base-Base interactions energy: -207.303
where: short stacking energy: -88.463
Base-Backbone interact. energy: -0.392
local terms energy: -106.464745
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -26.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -257.903969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.903969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.903969 (E_RNA)
where:
Base-Base interactions energy: -169.404
where: short stacking energy: -84.136
Base-Backbone interact. energy: -0.474
local terms energy: -88.026392
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -259.190880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.190880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.190880 (E_RNA)
where:
Base-Base interactions energy: -169.171
where: short stacking energy: -83.614
Base-Backbone interact. energy: -0.776
local terms energy: -89.243559
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -12.219
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: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -229.255948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.255948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.255948 (E_RNA)
where:
Base-Base interactions energy: -138.356
where: short stacking energy: -65.209
Base-Backbone interact. energy: 1.111
local terms energy: -92.010311
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -110.748205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.748205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.748205 (E_RNA)
where:
Base-Base interactions energy: -45.905
where: short stacking energy: -43.974
Base-Backbone interact. energy: -0.292
local terms energy: -64.550683
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -12.621
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: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -104.247269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.247269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.247269 (E_RNA)
where:
Base-Base interactions energy: -31.178
where: short stacking energy: -30.056
Base-Backbone interact. energy: -0.295
local terms energy: -72.773567
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -107.690493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.690493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.690493 (E_RNA)
where:
Base-Base interactions energy: -43.647
where: short stacking energy: -41.762
Base-Backbone interact. energy: -0.130
local terms energy: -63.913487
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -8.172
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: 1, replica: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -340.030797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.030797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.030797 (E_RNA)
where:
Base-Base interactions energy: -225.630
where: short stacking energy: -102.657
Base-Backbone interact. energy: -2.879
local terms energy: -111.521573
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -34.701
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: 2, replica: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -335.790455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.790455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.790455 (E_RNA)
where:
Base-Base interactions energy: -222.648
where: short stacking energy: -103.624
Base-Backbone interact. energy: 0.112
local terms energy: -113.253966
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -32.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -337.784355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.784355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.784355 (E_RNA)
where:
Base-Base interactions energy: -227.336
where: short stacking energy: -106.396
Base-Backbone interact. energy: -0.000
local terms energy: -110.447624
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -32.535
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: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -310.388854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.388854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.388854 (E_RNA)
where:
Base-Base interactions energy: -214.132
where: short stacking energy: -92.357
Base-Backbone interact. energy: -0.544
local terms energy: -95.712613
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -23.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -262.644936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.644936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.644936 (E_RNA)
where:
Base-Base interactions energy: -167.757
where: short stacking energy: -87.099
Base-Backbone interact. energy: -0.470
local terms energy: -94.418247
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -22.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -257.267212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.267212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.267212 (E_RNA)
where:
Base-Base interactions energy: -159.451
where: short stacking energy: -70.815
Base-Backbone interact. energy: -0.679
local terms energy: -97.137061
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -241.842447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.842447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.842447 (E_RNA)
where:
Base-Base interactions energy: -156.447
where: short stacking energy: -75.969
Base-Backbone interact. energy: -0.085
local terms energy: -85.309985
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -16.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -122.274529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.274529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.274529 (E_RNA)
where:
Base-Base interactions energy: -49.381
where: short stacking energy: -48.701
Base-Backbone interact. energy: 1.187
local terms energy: -74.080407
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -106.466941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.466941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.466941 (E_RNA)
where:
Base-Base interactions energy: -42.974
where: short stacking energy: -42.071
Base-Backbone interact. energy: 0.565
local terms energy: -64.058099
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -123.774399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.774399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.774399 (E_RNA)
where:
Base-Base interactions energy: -50.541
where: short stacking energy: -46.715
Base-Backbone interact. energy: -0.673
local terms energy: -72.560524
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -342.987841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.987841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.987841 (E_RNA)
where:
Base-Base interactions energy: -231.200
where: short stacking energy: -100.486
Base-Backbone interact. energy: -0.667
local terms energy: -111.120850
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -31.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -346.180265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.180265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.180265 (E_RNA)
where:
Base-Base interactions energy: -226.795
where: short stacking energy: -105.784
Base-Backbone interact. energy: -2.446
local terms energy: -116.939439
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -34.530
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: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -339.172987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.172987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.172987 (E_RNA)
where:
Base-Base interactions energy: -232.850
where: short stacking energy: -96.215
Base-Backbone interact. energy: -0.247
local terms energy: -106.076416
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -31.291
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: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -324.137738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.137738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.137738 (E_RNA)
where:
Base-Base interactions energy: -215.141
where: short stacking energy: -91.200
Base-Backbone interact. energy: -0.960
local terms energy: -108.036884
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -29.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -269.781848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.781848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.781848 (E_RNA)
where:
Base-Base interactions energy: -164.567
where: short stacking energy: -84.489
Base-Backbone interact. energy: -1.710
local terms energy: -103.504553
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -248.317014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.317014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.317014 (E_RNA)
where:
Base-Base interactions energy: -163.846
where: short stacking energy: -80.838
Base-Backbone interact. energy: -0.288
local terms energy: -84.183336
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -21.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -240.229667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.229667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.229667 (E_RNA)
where:
Base-Base interactions energy: -150.677
where: short stacking energy: -74.540
Base-Backbone interact. energy: -1.654
local terms energy: -87.898667
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -14.631
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: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -114.630541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.630541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.630541 (E_RNA)
where:
Base-Base interactions energy: -37.586
where: short stacking energy: -35.534
Base-Backbone interact. energy: -0.167
local terms energy: -76.876833
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -109.790777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.790777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.790777 (E_RNA)
where:
Base-Base interactions energy: -45.374
where: short stacking energy: -32.699
Base-Backbone interact. energy: -0.607
local terms energy: -63.810014
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -108.848757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.848757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.848757 (E_RNA)
where:
Base-Base interactions energy: -43.871
where: short stacking energy: -38.815
Base-Backbone interact. energy: -0.245
local terms energy: -64.733484
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -1.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -346.464687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.464687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.464687 (E_RNA)
where:
Base-Base interactions energy: -230.797
where: short stacking energy: -109.868
Base-Backbone interact. energy: -0.156
local terms energy: -115.511949
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -34.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -340.849351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.849351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.849351 (E_RNA)
where:
Base-Base interactions energy: -232.937
where: short stacking energy: -103.482
Base-Backbone interact. energy: -0.951
local terms energy: -106.961314
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -33.355
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: 3, replica: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -328.494806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.494806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.494806 (E_RNA)
where:
Base-Base interactions energy: -216.073
where: short stacking energy: -93.147
Base-Backbone interact. energy: -0.673
local terms energy: -111.748819
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -28.203
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: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -329.663210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.663210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.663210 (E_RNA)
where:
Base-Base interactions energy: -214.077
where: short stacking energy: -96.840
Base-Backbone interact. energy: -0.228
local terms energy: -115.357837
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -30.603
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: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -271.175636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.175636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.175636 (E_RNA)
where:
Base-Base interactions energy: -177.876
where: short stacking energy: -96.151
Base-Backbone interact. energy: -0.595
local terms energy: -92.704858
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -27.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -257.741579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.741579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.741579 (E_RNA)
where:
Base-Base interactions energy: -165.433
where: short stacking energy: -82.183
Base-Backbone interact. energy: -0.876
local terms energy: -91.431969
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -23.731
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -24.447
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: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -246.167962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.167962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.167962 (E_RNA)
where:
Base-Base interactions energy: -149.603
where: short stacking energy: -67.990
Base-Backbone interact. energy: -0.070
local terms energy: -96.494677
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -25.241
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -111.202238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.202238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.202238 (E_RNA)
where:
Base-Base interactions energy: -36.520
where: short stacking energy: -35.769
Base-Backbone interact. energy: -0.261
local terms energy: -74.420785
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -102.192760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.192760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.192760 (E_RNA)
where:
Base-Base interactions energy: -44.141
where: short stacking energy: -43.599
Base-Backbone interact. energy: -0.774
local terms energy: -57.277229
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -5.811
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: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -111.272503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.272503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.272503 (E_RNA)
where:
Base-Base interactions energy: -48.088
where: short stacking energy: -44.770
Base-Backbone interact. energy: -0.262
local terms energy: -62.921843
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -7.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -346.014834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.014834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.014834 (E_RNA)
where:
Base-Base interactions energy: -229.511
where: short stacking energy: -103.547
Base-Backbone interact. energy: -0.416
local terms energy: -116.087280
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -23.538
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -35.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -335.029175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.029175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.029175 (E_RNA)
where:
Base-Base interactions energy: -220.970
where: short stacking energy: -96.641
Base-Backbone interact. energy: -1.366
local terms energy: -112.692909
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -30.948
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: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -329.275237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.275237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.275237 (E_RNA)
where:
Base-Base interactions energy: -219.881
where: short stacking energy: -91.079
Base-Backbone interact. energy: -1.061
local terms energy: -108.333364
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -29.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -322.123890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.123890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.123890 (E_RNA)
where:
Base-Base interactions energy: -220.517
where: short stacking energy: -91.449
Base-Backbone interact. energy: -0.642
local terms energy: -100.965032
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -25.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -267.502069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.502069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.502069 (E_RNA)
where:
Base-Base interactions energy: -170.578
where: short stacking energy: -84.135
Base-Backbone interact. energy: -0.036
local terms energy: -96.888750
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -25.494
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: 6, replica: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -249.222174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.222174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.222174 (E_RNA)
where:
Base-Base interactions energy: -157.765
where: short stacking energy: -74.974
Base-Backbone interact. energy: -0.865
local terms energy: -90.591348
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -252.982558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.982558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.982558 (E_RNA)
where:
Base-Base interactions energy: -155.949
where: short stacking energy: -83.697
Base-Backbone interact. energy: -0.634
local terms energy: -96.399758
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -17.867
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: 8, replica: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -114.356315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.356315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.356315 (E_RNA)
where:
Base-Base interactions energy: -50.177
where: short stacking energy: -38.503
Base-Backbone interact. energy: -0.463
local terms energy: -63.716573
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -5.611
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: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -97.130281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.130281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.130281 (E_RNA)
where:
Base-Base interactions energy: -38.629
where: short stacking energy: -30.674
Base-Backbone interact. energy: -0.248
local terms energy: -58.253073
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -97.531148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.531148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.531148 (E_RNA)
where:
Base-Base interactions energy: -32.401
where: short stacking energy: -23.340
Base-Backbone interact. energy: 2.990
local terms energy: -68.119959
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: 4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -344.795213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.795213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.795213 (E_RNA)
where:
Base-Base interactions energy: -230.741
where: short stacking energy: -106.179
Base-Backbone interact. energy: -0.322
local terms energy: -113.732507
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -25.209
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -32.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -336.183914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.183914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.183914 (E_RNA)
where:
Base-Base interactions energy: -218.146
where: short stacking energy: -94.382
Base-Backbone interact. energy: -1.562
local terms energy: -116.476568
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -31.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -332.079784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.079784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.079784 (E_RNA)
where:
Base-Base interactions energy: -223.367
where: short stacking energy: -103.495
Base-Backbone interact. energy: -0.212
local terms energy: -108.501326
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -31.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -327.664394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.664394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.664394 (E_RNA)
where:
Base-Base interactions energy: -227.543
where: short stacking energy: -95.428
Base-Backbone interact. energy: -0.004
local terms energy: -100.117348
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -32.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -265.579044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.579044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.579044 (E_RNA)
where:
Base-Base interactions energy: -169.654
where: short stacking energy: -88.557
Base-Backbone interact. energy: -0.962
local terms energy: -94.963037
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -24.626
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: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -263.807051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.807051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.807051 (E_RNA)
where:
Base-Base interactions energy: -165.960
where: short stacking energy: -82.365
Base-Backbone interact. energy: -1.316
local terms energy: -96.530502
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -20.965
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: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -256.917698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.917698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.917698 (E_RNA)
where:
Base-Base interactions energy: -163.564
where: short stacking energy: -82.526
Base-Backbone interact. energy: -0.923
local terms energy: -92.430501
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -108.064895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.064895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.064895 (E_RNA)
where:
Base-Base interactions energy: -43.152
where: short stacking energy: -39.940
Base-Backbone interact. energy: -0.148
local terms energy: -64.764732
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: 0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -119.683598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.683598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.683598 (E_RNA)
where:
Base-Base interactions energy: -51.914
where: short stacking energy: -34.748
Base-Backbone interact. energy: 0.022
local terms energy: -67.791580
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -16.612
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: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -91.337589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.337589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.337589 (E_RNA)
where:
Base-Base interactions energy: -27.116
where: short stacking energy: -26.311
Base-Backbone interact. energy: 0.943
local terms energy: -65.165241
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: 2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -338.149839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.149839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.149839 (E_RNA)
where:
Base-Base interactions energy: -230.123
where: short stacking energy: -91.029
Base-Backbone interact. energy: -2.130
local terms energy: -105.897211
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -28.733
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: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -339.399054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.399054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.399054 (E_RNA)
where:
Base-Base interactions energy: -229.758
where: short stacking energy: -102.466
Base-Backbone interact. energy: -0.472
local terms energy: -109.168630
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -27.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -326.204308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.204308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.204308 (E_RNA)
where:
Base-Base interactions energy: -227.725
where: short stacking energy: -98.422
Base-Backbone interact. energy: -0.335
local terms energy: -98.144428
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -29.278
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: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -323.461973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.461973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.461973 (E_RNA)
where:
Base-Base interactions energy: -217.103
where: short stacking energy: -92.008
Base-Backbone interact. energy: -0.673
local terms energy: -105.685728
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -29.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -273.252152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.252152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.252152 (E_RNA)
where:
Base-Base interactions energy: -171.801
where: short stacking energy: -81.016
Base-Backbone interact. energy: -0.335
local terms energy: -101.115911
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -247.477298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.477298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.477298 (E_RNA)
where:
Base-Base interactions energy: -151.063
where: short stacking energy: -72.496
Base-Backbone interact. energy: -0.058
local terms energy: -96.356222
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -22.562
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -252.617859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.617859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.617859 (E_RNA)
where:
Base-Base interactions energy: -165.264
where: short stacking energy: -76.030
Base-Backbone interact. energy: -0.680
local terms energy: -86.673981
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -116.857921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.857921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.857921 (E_RNA)
where:
Base-Base interactions energy: -46.273
where: short stacking energy: -42.792
Base-Backbone interact. energy: 0.634
local terms energy: -71.218912
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -2.407
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -117.083752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.083752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.083752 (E_RNA)
where:
Base-Base interactions energy: -61.359
where: short stacking energy: -38.754
Base-Backbone interact. energy: -0.815
local terms energy: -54.909869
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: 2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -102.487893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.487893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.487893 (E_RNA)
where:
Base-Base interactions energy: -32.691
where: short stacking energy: -32.763
Base-Backbone interact. energy: -1.027
local terms energy: -68.769727
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -335.302523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.302523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.302523 (E_RNA)
where:
Base-Base interactions energy: -228.048
where: short stacking energy: -99.042
Base-Backbone interact. energy: -0.156
local terms energy: -107.098642
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -24.291
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -26.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -339.182653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.182653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.182653 (E_RNA)
where:
Base-Base interactions energy: -233.720
where: short stacking energy: -108.306
Base-Backbone interact. energy: -0.003
local terms energy: -105.459908
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -33.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -318.613894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.613894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.613894 (E_RNA)
where:
Base-Base interactions energy: -216.792
where: short stacking energy: -87.729
Base-Backbone interact. energy: -0.188
local terms energy: -101.633712
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -25.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -332.639000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.639000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.639000 (E_RNA)
where:
Base-Base interactions energy: -219.933
where: short stacking energy: -97.468
Base-Backbone interact. energy: -0.944
local terms energy: -111.761833
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -29.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -273.714492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.714492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.714492 (E_RNA)
where:
Base-Base interactions energy: -174.670
where: short stacking energy: -93.844
Base-Backbone interact. energy: -0.657
local terms energy: -98.387737
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -24.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -266.238111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.238111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.238111 (E_RNA)
where:
Base-Base interactions energy: -164.523
where: short stacking energy: -81.394
Base-Backbone interact. energy: -0.113
local terms energy: -101.602432
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -24.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -246.935919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.935919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.935919 (E_RNA)
where:
Base-Base interactions energy: -160.544
where: short stacking energy: -72.430
Base-Backbone interact. energy: -0.136
local terms energy: -86.255487
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -115.409226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.409226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.409226 (E_RNA)
where:
Base-Base interactions energy: -37.690
where: short stacking energy: -37.890
Base-Backbone interact. energy: 0.340
local terms energy: -78.058283
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -104.980856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.980856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.980856 (E_RNA)
where:
Base-Base interactions energy: -32.687
where: short stacking energy: -33.563
Base-Backbone interact. energy: -0.143
local terms energy: -72.150946
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -8.617
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: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -95.333965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.333965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.333965 (E_RNA)
where:
Base-Base interactions energy: -28.297
where: short stacking energy: -26.804
Base-Backbone interact. energy: -1.561
local terms energy: -65.475979
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -14.176
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: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -338.394591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.394591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.394591 (E_RNA)
where:
Base-Base interactions energy: -228.207
where: short stacking energy: -105.251
Base-Backbone interact. energy: -0.695
local terms energy: -109.492935
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -19.400
tors. eta vs tors. theta energy: -30.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -333.835358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.835358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.835358 (E_RNA)
where:
Base-Base interactions energy: -223.603
where: short stacking energy: -101.034
Base-Backbone interact. energy: 0.733
local terms energy: -110.964903
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -29.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -328.497882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.497882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.497882 (E_RNA)
where:
Base-Base interactions energy: -226.686
where: short stacking energy: -101.611
Base-Backbone interact. energy: -0.680
local terms energy: -101.131223
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -28.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -326.715134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.715134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.715134 (E_RNA)
where:
Base-Base interactions energy: -214.084
where: short stacking energy: -97.819
Base-Backbone interact. energy: -0.981
local terms energy: -111.650744
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -18.933
tors. eta vs tors. theta energy: -32.148
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: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -256.996412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.996412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.996412 (E_RNA)
where:
Base-Base interactions energy: -157.722
where: short stacking energy: -73.608
Base-Backbone interact. energy: -0.587
local terms energy: -98.687715
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -259.067602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.067602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.067602 (E_RNA)
where:
Base-Base interactions energy: -164.626
where: short stacking energy: -77.473
Base-Backbone interact. energy: 1.343
local terms energy: -95.784096
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -25.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -243.424024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.424024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.424024 (E_RNA)
where:
Base-Base interactions energy: -158.925
where: short stacking energy: -71.721
Base-Backbone interact. energy: -0.332
local terms energy: -84.167274
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -118.660120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.660120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.660120 (E_RNA)
where:
Base-Base interactions energy: -43.654
where: short stacking energy: -43.654
Base-Backbone interact. energy: -0.376
local terms energy: -74.630215
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -11.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -107.425397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.425397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.425397 (E_RNA)
where:
Base-Base interactions energy: -34.714
where: short stacking energy: -24.979
Base-Backbone interact. energy: -0.317
local terms energy: -72.394002
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: 0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -97.136579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.136579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.136579 (E_RNA)
where:
Base-Base interactions energy: -41.747
where: short stacking energy: -20.051
Base-Backbone interact. energy: 3.692
local terms energy: -59.082263
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -8.508
flat angles P-C4'-P energy: -12.837
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: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -342.225011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.225011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.225011 (E_RNA)
where:
Base-Base interactions energy: -226.852
where: short stacking energy: -104.533
Base-Backbone interact. energy: -0.725
local terms energy: -114.647867
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -25.528
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -31.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -338.414243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.414243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.414243 (E_RNA)
where:
Base-Base interactions energy: -222.476
where: short stacking energy: -104.178
Base-Backbone interact. energy: -1.064
local terms energy: -114.874747
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -32.513
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: 383
Temperature: 1.000000
Total energy: -336.569517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.569517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.569517 (E_RNA)
where:
Base-Base interactions energy: -219.627
where: short stacking energy: -96.898
Base-Backbone interact. energy: -1.184
local terms energy: -115.759295
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -30.548
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: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -327.556688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.556688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.556688 (E_RNA)
where:
Base-Base interactions energy: -215.132
where: short stacking energy: -87.455
Base-Backbone interact. energy: -0.407
local terms energy: -112.017845
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -17.555
tors. eta vs tors. theta energy: -30.122
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: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -259.883490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.883490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.883490 (E_RNA)
where:
Base-Base interactions energy: -172.687
where: short stacking energy: -85.146
Base-Backbone interact. energy: -0.178
local terms energy: -87.018072
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: -22.354
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: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -258.992699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.992699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.992699 (E_RNA)
where:
Base-Base interactions energy: -166.549
where: short stacking energy: -80.780
Base-Backbone interact. energy: -0.602
local terms energy: -91.842198
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -22.835
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: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -255.529099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.529099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.529099 (E_RNA)
where:
Base-Base interactions energy: -155.997
where: short stacking energy: -79.024
Base-Backbone interact. energy: -0.140
local terms energy: -99.392961
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -24.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -125.911466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.911466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.911466 (E_RNA)
where:
Base-Base interactions energy: -67.475
where: short stacking energy: -36.497
Base-Backbone interact. energy: -1.389
local terms energy: -57.047523
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -13.135
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: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -97.107327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.107327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.107327 (E_RNA)
where:
Base-Base interactions energy: -34.207
where: short stacking energy: -33.062
Base-Backbone interact. energy: -0.431
local terms energy: -62.468717
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: 3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -107.159758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.159758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.159758 (E_RNA)
where:
Base-Base interactions energy: -53.851
where: short stacking energy: -36.695
Base-Backbone interact. energy: -0.512
local terms energy: -52.796461
where:
bonds (distance) C4'-P energy: -5.067
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -351.719888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.719888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.719888 (E_RNA)
where:
Base-Base interactions energy: -227.402
where: short stacking energy: -107.361
Base-Backbone interact. energy: -0.883
local terms energy: -123.434026
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -34.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -332.594597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.594597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.594597 (E_RNA)
where:
Base-Base interactions energy: -223.732
where: short stacking energy: -105.846
Base-Backbone interact. energy: -0.011
local terms energy: -108.851926
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -32.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -323.843820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.843820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.843820 (E_RNA)
where:
Base-Base interactions energy: -216.273
where: short stacking energy: -90.647
Base-Backbone interact. energy: -0.121
local terms energy: -107.450408
where:
bonds (distance) C4'-P energy: -19.634
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -29.510
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: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -329.896806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.896806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.896806 (E_RNA)
where:
Base-Base interactions energy: -216.567
where: short stacking energy: -99.370
Base-Backbone interact. energy: 1.204
local terms energy: -114.533821
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -34.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -264.767888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.767888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.767888 (E_RNA)
where:
Base-Base interactions energy: -177.499
where: short stacking energy: -85.430
Base-Backbone interact. energy: 0.830
local terms energy: -88.099173
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -11.833
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: 384
Temperature: 1.150000
Total energy: -252.645616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.645616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.645616 (E_RNA)
where:
Base-Base interactions energy: -160.987
where: short stacking energy: -84.942
Base-Backbone interact. energy: 0.222
local terms energy: -91.880571
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -22.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -238.157613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.157613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.157613 (E_RNA)
where:
Base-Base interactions energy: -152.373
where: short stacking energy: -69.545
Base-Backbone interact. energy: -0.117
local terms energy: -85.667739
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -17.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -111.907640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.907640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.907640 (E_RNA)
where:
Base-Base interactions energy: -49.444
where: short stacking energy: -47.747
Base-Backbone interact. energy: 0.216
local terms energy: -62.679898
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -105.064759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.064759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.064759 (E_RNA)
where:
Base-Base interactions energy: -37.081
where: short stacking energy: -35.240
Base-Backbone interact. energy: 1.336
local terms energy: -69.320577
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -102.484820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.484820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.484820 (E_RNA)
where:
Base-Base interactions energy: -44.660
where: short stacking energy: -44.660
Base-Backbone interact. energy: -0.140
local terms energy: -57.685478
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -2.195
tors. eta vs tors. theta energy: -1.730
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: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -339.966899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.966899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.966899 (E_RNA)
where:
Base-Base interactions energy: -224.643
where: short stacking energy: -99.394
Base-Backbone interact. energy: -0.204
local terms energy: -115.120246
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -28.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -336.445632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.445632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.445632 (E_RNA)
where:
Base-Base interactions energy: -231.264
where: short stacking energy: -92.448
Base-Backbone interact. energy: -1.751
local terms energy: -103.430334
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -28.678
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: 385
Temperature: 1.000000
Total energy: -323.928537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.928537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.928537 (E_RNA)
where:
Base-Base interactions energy: -217.523
where: short stacking energy: -95.659
Base-Backbone interact. energy: -1.473
local terms energy: -104.932700
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -29.409
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: 385
Temperature: 1.050000
Total energy: -331.993824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.993824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.993824 (E_RNA)
where:
Base-Base interactions energy: -218.170
where: short stacking energy: -99.509
Base-Backbone interact. energy: -2.174
local terms energy: -111.649612
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -33.873
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: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -280.214421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.214421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.214421 (E_RNA)
where:
Base-Base interactions energy: -181.713
where: short stacking energy: -95.906
Base-Backbone interact. energy: -0.238
local terms energy: -98.263168
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -31.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -247.993617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.993617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.993617 (E_RNA)
where:
Base-Base interactions energy: -171.210
where: short stacking energy: -83.710
Base-Backbone interact. energy: -0.093
local terms energy: -76.690198
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -225.702506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.702506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.702506 (E_RNA)
where:
Base-Base interactions energy: -136.426
where: short stacking energy: -69.547
Base-Backbone interact. energy: -0.013
local terms energy: -89.263379
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -122.026587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.026587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.026587 (E_RNA)
where:
Base-Base interactions energy: -52.097
where: short stacking energy: -40.706
Base-Backbone interact. energy: -0.245
local terms energy: -69.684342
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -1.939
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: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -117.386312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.386312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.386312 (E_RNA)
where:
Base-Base interactions energy: -56.842
where: short stacking energy: -41.717
Base-Backbone interact. energy: 0.447
local terms energy: -60.991344
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: 1.078
tors. eta vs tors. theta energy: -9.971
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: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -106.942366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.942366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.942366 (E_RNA)
where:
Base-Base interactions energy: -36.429
where: short stacking energy: -33.956
Base-Backbone interact. energy: -0.289
local terms energy: -70.224296
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -353.866668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.866668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.866668 (E_RNA)
where:
Base-Base interactions energy: -235.591
where: short stacking energy: -101.051
Base-Backbone interact. energy: -1.338
local terms energy: -116.937686
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -35.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -344.905138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.905138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.905138 (E_RNA)
where:
Base-Base interactions energy: -232.769
where: short stacking energy: -106.829
Base-Backbone interact. energy: -0.094
local terms energy: -112.042321
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -25.075
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -32.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -330.627311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.627311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.627311 (E_RNA)
where:
Base-Base interactions energy: -223.356
where: short stacking energy: -96.066
Base-Backbone interact. energy: 0.276
local terms energy: -107.547190
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -29.759
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: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -342.664195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.664195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.664195 (E_RNA)
where:
Base-Base interactions energy: -240.267
where: short stacking energy: -105.923
Base-Backbone interact. energy: -0.353
local terms energy: -102.043997
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -30.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -263.133221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.133221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.133221 (E_RNA)
where:
Base-Base interactions energy: -163.414
where: short stacking energy: -85.582
Base-Backbone interact. energy: -0.649
local terms energy: -99.069953
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -250.062909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.062909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.062909 (E_RNA)
where:
Base-Base interactions energy: -164.018
where: short stacking energy: -75.350
Base-Backbone interact. energy: -0.396
local terms energy: -85.648955
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -245.695013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.695013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.695013 (E_RNA)
where:
Base-Base interactions energy: -160.784
where: short stacking energy: -77.428
Base-Backbone interact. energy: 1.190
local terms energy: -86.101080
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -98.947920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.947920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.947920 (E_RNA)
where:
Base-Base interactions energy: -39.210
where: short stacking energy: -34.746
Base-Backbone interact. energy: -0.522
local terms energy: -59.216391
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -108.714071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.714071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.714071 (E_RNA)
where:
Base-Base interactions energy: -49.565
where: short stacking energy: -33.472
Base-Backbone interact. energy: 1.236
local terms energy: -60.385147
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -118.911093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.911093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.911093 (E_RNA)
where:
Base-Base interactions energy: -51.457
where: short stacking energy: -37.210
Base-Backbone interact. energy: -0.254
local terms energy: -67.200162
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -345.209758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.209758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.209758 (E_RNA)
where:
Base-Base interactions energy: -236.400
where: short stacking energy: -107.587
Base-Backbone interact. energy: -2.314
local terms energy: -106.496196
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -33.206
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: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -339.935248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.935248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.935248 (E_RNA)
where:
Base-Base interactions energy: -223.026
where: short stacking energy: -94.925
Base-Backbone interact. energy: -1.916
local terms energy: -114.992973
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -32.332
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: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -330.975714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.975714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.975714 (E_RNA)
where:
Base-Base interactions energy: -220.566
where: short stacking energy: -97.565
Base-Backbone interact. energy: -0.461
local terms energy: -109.948650
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -33.720
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: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -330.555868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.555868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.555868 (E_RNA)
where:
Base-Base interactions energy: -223.386
where: short stacking energy: -101.049
Base-Backbone interact. energy: -0.777
local terms energy: -106.392861
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -32.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -268.991395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.991395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.991395 (E_RNA)
where:
Base-Base interactions energy: -179.888
where: short stacking energy: -77.545
Base-Backbone interact. energy: -0.766
local terms energy: -88.337158
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -26.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -257.941930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.941930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.941930 (E_RNA)
where:
Base-Base interactions energy: -161.823
where: short stacking energy: -73.120
Base-Backbone interact. energy: -2.624
local terms energy: -93.495222
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -24.324
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -24.513
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: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -243.438497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.438497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.438497 (E_RNA)
where:
Base-Base interactions energy: -154.322
where: short stacking energy: -71.463
Base-Backbone interact. energy: 0.248
local terms energy: -89.365004
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -114.210907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.210907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.210907 (E_RNA)
where:
Base-Base interactions energy: -44.263
where: short stacking energy: -38.554
Base-Backbone interact. energy: -0.033
local terms energy: -69.914918
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -5.897
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: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -109.843066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.843066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.843066 (E_RNA)
where:
Base-Base interactions energy: -42.287
where: short stacking energy: -39.618
Base-Backbone interact. energy: -0.122
local terms energy: -67.434316
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -10.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -94.769872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.769872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.769872 (E_RNA)
where:
Base-Base interactions energy: -41.098
where: short stacking energy: -24.298
Base-Backbone interact. energy: -0.386
local terms energy: -53.285966
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: 2.112
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: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -350.794253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.794253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.794253 (E_RNA)
where:
Base-Base interactions energy: -228.308
where: short stacking energy: -104.069
Base-Backbone interact. energy: -2.694
local terms energy: -119.792871
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -25.080
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -32.318
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: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -329.916947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.916947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.916947 (E_RNA)
where:
Base-Base interactions energy: -222.226
where: short stacking energy: -91.354
Base-Backbone interact. energy: -0.306
local terms energy: -107.385331
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -32.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -334.741206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.741206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.741206 (E_RNA)
where:
Base-Base interactions energy: -223.415
where: short stacking energy: -102.067
Base-Backbone interact. energy: -1.437
local terms energy: -109.889403
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -31.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -317.296004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.296004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.296004 (E_RNA)
where:
Base-Base interactions energy: -218.858
where: short stacking energy: -99.644
Base-Backbone interact. energy: -0.156
local terms energy: -98.282280
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -28.255
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: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -250.896651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.896651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.896651 (E_RNA)
where:
Base-Base interactions energy: -165.802
where: short stacking energy: -80.469
Base-Backbone interact. energy: -0.282
local terms energy: -84.812731
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -268.281739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.281739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.281739 (E_RNA)
where:
Base-Base interactions energy: -179.915
where: short stacking energy: -79.449
Base-Backbone interact. energy: -0.181
local terms energy: -88.185904
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -21.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -242.536148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.536148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.536148 (E_RNA)
where:
Base-Base interactions energy: -147.024
where: short stacking energy: -68.326
Base-Backbone interact. energy: -0.178
local terms energy: -95.334013
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -118.504605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.504605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.504605 (E_RNA)
where:
Base-Base interactions energy: -38.091
where: short stacking energy: -37.022
Base-Backbone interact. energy: -0.320
local terms energy: -80.093531
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -7.638
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: 2
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -111.905774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.905774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.905774 (E_RNA)
where:
Base-Base interactions energy: -35.768
where: short stacking energy: -35.768
Base-Backbone interact. energy: -0.279
local terms energy: -75.858413
where:
bonds (distance) C4'-P energy: -21.544
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -99.007294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.007294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.007294 (E_RNA)
where:
Base-Base interactions energy: -31.430
where: short stacking energy: -30.349
Base-Backbone interact. energy: -0.004
local terms energy: -67.572601
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -0.993
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: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -348.282248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.282248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.282248 (E_RNA)
where:
Base-Base interactions energy: -234.762
where: short stacking energy: -106.315
Base-Backbone interact. energy: -2.644
local terms energy: -110.875817
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -30.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -340.246619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.246619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.246619 (E_RNA)
where:
Base-Base interactions energy: -224.963
where: short stacking energy: -98.095
Base-Backbone interact. energy: -1.701
local terms energy: -113.582596
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -23.041
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -29.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -327.244122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.244122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.244122 (E_RNA)
where:
Base-Base interactions energy: -227.042
where: short stacking energy: -90.235
Base-Backbone interact. energy: -0.774
local terms energy: -99.428029
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -26.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -318.526194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.526194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.526194 (E_RNA)
where:
Base-Base interactions energy: -216.570
where: short stacking energy: -100.555
Base-Backbone interact. energy: -0.530
local terms energy: -101.426223
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -30.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -258.672228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.672228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.672228 (E_RNA)
where:
Base-Base interactions energy: -166.132
where: short stacking energy: -89.410
Base-Backbone interact. energy: 1.185
local terms energy: -93.725143
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -13.555
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: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -256.770010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.770010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.770010 (E_RNA)
where:
Base-Base interactions energy: -160.800
where: short stacking energy: -75.888
Base-Backbone interact. energy: -0.258
local terms energy: -95.711740
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -23.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -249.524153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.524153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.524153 (E_RNA)
where:
Base-Base interactions energy: -158.784
where: short stacking energy: -77.654
Base-Backbone interact. energy: -0.239
local terms energy: -90.500952
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -119.482120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.482120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.482120 (E_RNA)
where:
Base-Base interactions energy: -48.316
where: short stacking energy: -48.316
Base-Backbone interact. energy: -0.304
local terms energy: -70.862220
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -130.304173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.304173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.304173 (E_RNA)
where:
Base-Base interactions energy: -51.467
where: short stacking energy: -43.153
Base-Backbone interact. energy: 1.020
local terms energy: -79.857030
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -115.815191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.815191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.815191 (E_RNA)
where:
Base-Base interactions energy: -44.955
where: short stacking energy: -44.955
Base-Backbone interact. energy: 1.241
local terms energy: -72.101203
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -11.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -346.719511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.719511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.719511 (E_RNA)
where:
Base-Base interactions energy: -229.882
where: short stacking energy: -102.842
Base-Backbone interact. energy: -0.460
local terms energy: -116.377947
where:
bonds (distance) C4'-P energy: -23.101
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -31.072
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: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -330.715647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.715647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.715647 (E_RNA)
where:
Base-Base interactions energy: -215.750
where: short stacking energy: -95.595
Base-Backbone interact. energy: -0.599
local terms energy: -114.366464
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -30.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -340.867925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.867925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.867925 (E_RNA)
where:
Base-Base interactions energy: -221.396
where: short stacking energy: -102.968
Base-Backbone interact. energy: -2.814
local terms energy: -116.658282
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -34.502
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: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -321.434938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.434938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.434938 (E_RNA)
where:
Base-Base interactions energy: -222.689
where: short stacking energy: -95.362
Base-Backbone interact. energy: -0.246
local terms energy: -98.499548
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -23.557
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: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -271.197012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.197012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.197012 (E_RNA)
where:
Base-Base interactions energy: -176.290
where: short stacking energy: -90.411
Base-Backbone interact. energy: -0.423
local terms energy: -94.484509
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -29.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -257.971607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.971607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.971607 (E_RNA)
where:
Base-Base interactions energy: -162.616
where: short stacking energy: -74.203
Base-Backbone interact. energy: -0.341
local terms energy: -95.014089
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -15.117
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: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -244.143283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.143283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.143283 (E_RNA)
where:
Base-Base interactions energy: -164.579
where: short stacking energy: -85.360
Base-Backbone interact. energy: -0.947
local terms energy: -78.617997
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -23.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -111.033739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.033739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.033739 (E_RNA)
where:
Base-Base interactions energy: -35.619
where: short stacking energy: -35.619
Base-Backbone interact. energy: 0.237
local terms energy: -75.652008
where:
bonds (distance) C4'-P energy: -22.968
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -123.233464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.233464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.233464 (E_RNA)
where:
Base-Base interactions energy: -37.664
where: short stacking energy: -34.783
Base-Backbone interact. energy: -0.069
local terms energy: -85.500739
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -5.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -96.593573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.593573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.593573 (E_RNA)
where:
Base-Base interactions energy: -47.457
where: short stacking energy: -38.467
Base-Backbone interact. energy: -0.594
local terms energy: -48.542037
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -13.561
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: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -344.433246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.433246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.433246 (E_RNA)
where:
Base-Base interactions energy: -233.823
where: short stacking energy: -102.951
Base-Backbone interact. energy: -0.086
local terms energy: -110.524851
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -31.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -336.542716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.542716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.542716 (E_RNA)
where:
Base-Base interactions energy: -223.141
where: short stacking energy: -98.976
Base-Backbone interact. energy: -0.096
local terms energy: -113.305762
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -33.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -338.998697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.998697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.998697 (E_RNA)
where:
Base-Base interactions energy: -226.553
where: short stacking energy: -107.830
Base-Backbone interact. energy: -0.423
local terms energy: -112.022721
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -32.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -328.239725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.239725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.239725 (E_RNA)
where:
Base-Base interactions energy: -217.326
where: short stacking energy: -96.549
Base-Backbone interact. energy: -0.943
local terms energy: -109.970995
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -30.525
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: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -269.120359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.120359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.120359 (E_RNA)
where:
Base-Base interactions energy: -169.193
where: short stacking energy: -88.055
Base-Backbone interact. energy: -0.045
local terms energy: -99.882429
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -24.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -254.926282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.926282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.926282 (E_RNA)
where:
Base-Base interactions energy: -164.540
where: short stacking energy: -76.722
Base-Backbone interact. energy: -0.236
local terms energy: -90.150264
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -20.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -249.376589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.376589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.376589 (E_RNA)
where:
Base-Base interactions energy: -156.069
where: short stacking energy: -79.979
Base-Backbone interact. energy: -0.017
local terms energy: -93.291406
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -25.072
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: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -115.107845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.107845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.107845 (E_RNA)
where:
Base-Base interactions energy: -43.078
where: short stacking energy: -43.078
Base-Backbone interact. energy: -0.149
local terms energy: -71.881342
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -101.297103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.297103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.297103 (E_RNA)
where:
Base-Base interactions energy: -41.074
where: short stacking energy: -40.112
Base-Backbone interact. energy: 0.964
local terms energy: -61.187561
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -7.203
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: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -102.729133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.729133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.729133 (E_RNA)
where:
Base-Base interactions energy: -38.277
where: short stacking energy: -36.103
Base-Backbone interact. energy: -0.077
local terms energy: -64.374307
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -335.178580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.178580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.178580 (E_RNA)
where:
Base-Base interactions energy: -224.510
where: short stacking energy: -103.825
Base-Backbone interact. energy: -0.097
local terms energy: -110.570786
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -29.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -338.595023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.595023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.595023 (E_RNA)
where:
Base-Base interactions energy: -224.239
where: short stacking energy: -100.065
Base-Backbone interact. energy: -1.697
local terms energy: -112.658437
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -30.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -326.284737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.284737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.284737 (E_RNA)
where:
Base-Base interactions energy: -227.147
where: short stacking energy: -102.150
Base-Backbone interact. energy: -0.043
local terms energy: -99.094797
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -29.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -316.423725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.423725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.423725 (E_RNA)
where:
Base-Base interactions energy: -205.177
where: short stacking energy: -92.628
Base-Backbone interact. energy: -0.689
local terms energy: -110.557491
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -25.808
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -28.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -259.202675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.202675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.202675 (E_RNA)
where:
Base-Base interactions energy: -163.441
where: short stacking energy: -83.856
Base-Backbone interact. energy: -0.355
local terms energy: -95.406474
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -19.378
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -22.237
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: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -254.737047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.737047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.737047 (E_RNA)
where:
Base-Base interactions energy: -164.208
where: short stacking energy: -83.387
Base-Backbone interact. energy: 1.237
local terms energy: -91.766158
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -247.654962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.654962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.654962 (E_RNA)
where:
Base-Base interactions energy: -157.761
where: short stacking energy: -80.671
Base-Backbone interact. energy: -0.134
local terms energy: -89.760017
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -121.249740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.249740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.249740 (E_RNA)
where:
Base-Base interactions energy: -40.131
where: short stacking energy: -37.110
Base-Backbone interact. energy: -0.230
local terms energy: -80.888942
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -7.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -120.254022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.254022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.254022 (E_RNA)
where:
Base-Base interactions energy: -55.313
where: short stacking energy: -50.075
Base-Backbone interact. energy: -0.100
local terms energy: -64.841216
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -7.101
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: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -105.902829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.902829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.902829 (E_RNA)
where:
Base-Base interactions energy: -33.561
where: short stacking energy: -33.761
Base-Backbone interact. energy: -0.430
local terms energy: -71.911746
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -340.176530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.176530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.176530 (E_RNA)
where:
Base-Base interactions energy: -225.507
where: short stacking energy: -95.467
Base-Backbone interact. energy: -0.338
local terms energy: -114.331402
where:
bonds (distance) C4'-P energy: -23.603
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -31.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -338.162746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.162746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.162746 (E_RNA)
where:
Base-Base interactions energy: -227.614
where: short stacking energy: -94.547
Base-Backbone interact. energy: -0.837
local terms energy: -109.711969
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -31.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -330.800314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.800314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.800314 (E_RNA)
where:
Base-Base interactions energy: -214.362
where: short stacking energy: -91.181
Base-Backbone interact. energy: -0.972
local terms energy: -115.466829
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -30.790
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: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -329.828603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.828603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.828603 (E_RNA)
where:
Base-Base interactions energy: -215.198
where: short stacking energy: -95.719
Base-Backbone interact. energy: -0.046
local terms energy: -114.584231
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -23.014
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -29.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -267.024549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.024549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.024549 (E_RNA)
where:
Base-Base interactions energy: -172.573
where: short stacking energy: -85.175
Base-Backbone interact. energy: -0.552
local terms energy: -93.900222
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -25.010
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: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -270.547839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.547839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.547839 (E_RNA)
where:
Base-Base interactions energy: -166.701
where: short stacking energy: -82.117
Base-Backbone interact. energy: -0.483
local terms energy: -103.363818
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -28.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -242.482394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.482394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.482394 (E_RNA)
where:
Base-Base interactions energy: -146.729
where: short stacking energy: -80.228
Base-Backbone interact. energy: 0.103
local terms energy: -95.856120
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -111.102516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.102516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.102516 (E_RNA)
where:
Base-Base interactions energy: -50.997
where: short stacking energy: -39.233
Base-Backbone interact. energy: 5.832
local terms energy: -65.936822
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -109.503334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.503334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.503334 (E_RNA)
where:
Base-Base interactions energy: -34.087
where: short stacking energy: -32.234
Base-Backbone interact. energy: 0.150
local terms energy: -75.566380
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -11.829
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: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -106.994967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.994967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.994967 (E_RNA)
where:
Base-Base interactions energy: -46.004
where: short stacking energy: -28.283
Base-Backbone interact. energy: -0.627
local terms energy: -60.364528
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -342.896094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.896094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.896094 (E_RNA)
where:
Base-Base interactions energy: -225.765
where: short stacking energy: -101.149
Base-Backbone interact. energy: -0.730
local terms energy: -116.401229
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -25.484
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -30.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -349.493416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.493416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.493416 (E_RNA)
where:
Base-Base interactions energy: -231.710
where: short stacking energy: -97.969
Base-Backbone interact. energy: -1.131
local terms energy: -116.651542
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -32.998
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: 394
Temperature: 1.000000
Total energy: -341.486706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.486706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.486706 (E_RNA)
where:
Base-Base interactions energy: -229.545
where: short stacking energy: -90.247
Base-Backbone interact. energy: -0.324
local terms energy: -111.617561
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -28.244
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: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -327.308472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.308472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.308472 (E_RNA)
where:
Base-Base interactions energy: -224.148
where: short stacking energy: -102.568
Base-Backbone interact. energy: 0.499
local terms energy: -103.659342
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -34.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -257.957372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.957372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.957372 (E_RNA)
where:
Base-Base interactions energy: -165.992
where: short stacking energy: -81.446
Base-Backbone interact. energy: -2.276
local terms energy: -89.689324
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -252.457766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.457766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.457766 (E_RNA)
where:
Base-Base interactions energy: -154.830
where: short stacking energy: -73.756
Base-Backbone interact. energy: -0.745
local terms energy: -96.882654
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -26.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -257.434760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.434760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.434760 (E_RNA)
where:
Base-Base interactions energy: -160.720
where: short stacking energy: -80.980
Base-Backbone interact. energy: 0.628
local terms energy: -97.342884
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -24.631
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: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -116.746144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.746144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.746144 (E_RNA)
where:
Base-Base interactions energy: -43.275
where: short stacking energy: -39.360
Base-Backbone interact. energy: -0.127
local terms energy: -73.344648
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -109.548172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.548172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.548172 (E_RNA)
where:
Base-Base interactions energy: -38.838
where: short stacking energy: -38.778
Base-Backbone interact. energy: -0.172
local terms energy: -70.537671
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -14.358
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: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -104.740581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.740581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.740581 (E_RNA)
where:
Base-Base interactions energy: -39.069
where: short stacking energy: -39.069
Base-Backbone interact. energy: -0.108
local terms energy: -65.563465
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -336.243689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.243689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.243689 (E_RNA)
where:
Base-Base interactions energy: -226.460
where: short stacking energy: -107.668
Base-Backbone interact. energy: -0.716
local terms energy: -109.067495
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -32.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -338.708295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.708295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.708295 (E_RNA)
where:
Base-Base interactions energy: -225.099
where: short stacking energy: -97.649
Base-Backbone interact. energy: -0.738
local terms energy: -112.871611
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -26.369
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -28.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -338.253307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.253307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.253307 (E_RNA)
where:
Base-Base interactions energy: -224.985
where: short stacking energy: -97.840
Base-Backbone interact. energy: -1.572
local terms energy: -111.696191
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -34.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -324.852722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.852722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.852722 (E_RNA)
where:
Base-Base interactions energy: -213.225
where: short stacking energy: -94.492
Base-Backbone interact. energy: -1.161
local terms energy: -110.466094
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -32.184
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: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -272.322827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.322827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.322827 (E_RNA)
where:
Base-Base interactions energy: -171.276
where: short stacking energy: -84.625
Base-Backbone interact. energy: -0.059
local terms energy: -100.987149
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -23.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -268.129562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.129562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.129562 (E_RNA)
where:
Base-Base interactions energy: -168.518
where: short stacking energy: -89.131
Base-Backbone interact. energy: -0.008
local terms energy: -99.602809
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -24.638
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: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -235.445999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.445999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.445999 (E_RNA)
where:
Base-Base interactions energy: -149.633
where: short stacking energy: -68.094
Base-Backbone interact. energy: -0.003
local terms energy: -85.810093
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -10.303
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: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -120.370505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.370505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.370505 (E_RNA)
where:
Base-Base interactions energy: -48.029
where: short stacking energy: -48.029
Base-Backbone interact. energy: 0.167
local terms energy: -72.508671
where:
bonds (distance) C4'-P energy: -6.842
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -109.506622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.506622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.506622 (E_RNA)
where:
Base-Base interactions energy: -49.010
where: short stacking energy: -40.631
Base-Backbone interact. energy: -0.210
local terms energy: -60.286012
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -101.912649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.912649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.912649 (E_RNA)
where:
Base-Base interactions energy: -49.319
where: short stacking energy: -37.955
Base-Backbone interact. energy: -0.185
local terms energy: -52.408589
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -2.599
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -345.045415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.045415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.045415 (E_RNA)
where:
Base-Base interactions energy: -235.572
where: short stacking energy: -112.204
Base-Backbone interact. energy: -1.395
local terms energy: -108.077951
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -32.573
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: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -330.463401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.463401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.463401 (E_RNA)
where:
Base-Base interactions energy: -217.477
where: short stacking energy: -99.017
Base-Backbone interact. energy: -1.296
local terms energy: -111.689948
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -31.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -343.202145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.202145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.202145 (E_RNA)
where:
Base-Base interactions energy: -229.338
where: short stacking energy: -103.642
Base-Backbone interact. energy: -0.831
local terms energy: -113.033225
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -23.827
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -31.055
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: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -330.716074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.716074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.716074 (E_RNA)
where:
Base-Base interactions energy: -225.731
where: short stacking energy: -102.480
Base-Backbone interact. energy: -1.021
local terms energy: -103.965001
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -31.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -262.483909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.483909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.483909 (E_RNA)
where:
Base-Base interactions energy: -169.577
where: short stacking energy: -83.724
Base-Backbone interact. energy: -0.912
local terms energy: -91.994707
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -19.326
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -13.182
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: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -261.435727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.435727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.435727 (E_RNA)
where:
Base-Base interactions energy: -177.301
where: short stacking energy: -80.458
Base-Backbone interact. energy: -0.176
local terms energy: -83.958959
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -241.041121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.041121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.041121 (E_RNA)
where:
Base-Base interactions energy: -148.487
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.163
local terms energy: -92.390845
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -17.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -124.319267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.319267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.319267 (E_RNA)
where:
Base-Base interactions energy: -70.264
where: short stacking energy: -44.625
Base-Backbone interact. energy: -0.150
local terms energy: -53.905003
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -11.217
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: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -118.706382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.706382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.706382 (E_RNA)
where:
Base-Base interactions energy: -56.191
where: short stacking energy: -39.054
Base-Backbone interact. energy: -0.373
local terms energy: -62.142584
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -9.326
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: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -108.546776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.546776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.546776 (E_RNA)
where:
Base-Base interactions energy: -43.116
where: short stacking energy: -37.135
Base-Backbone interact. energy: -0.192
local terms energy: -65.239494
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -8.803
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: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -352.378040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.378040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.378040 (E_RNA)
where:
Base-Base interactions energy: -232.633
where: short stacking energy: -102.437
Base-Backbone interact. energy: -1.115
local terms energy: -118.630450
where:
bonds (distance) C4'-P energy: -24.370
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -28.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -341.276681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.276681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.276681 (E_RNA)
where:
Base-Base interactions energy: -229.489
where: short stacking energy: -96.552
Base-Backbone interact. energy: -0.637
local terms energy: -111.150666
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -21.660
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -32.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -330.116680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.116680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.116680 (E_RNA)
where:
Base-Base interactions energy: -214.990
where: short stacking energy: -102.310
Base-Backbone interact. energy: -1.089
local terms energy: -114.037983
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -29.640
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: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -328.662858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.662858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.662858 (E_RNA)
where:
Base-Base interactions energy: -220.941
where: short stacking energy: -105.588
Base-Backbone interact. energy: -0.743
local terms energy: -106.978612
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -26.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -246.432584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.432584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.432584 (E_RNA)
where:
Base-Base interactions energy: -163.784
where: short stacking energy: -77.807
Base-Backbone interact. energy: -1.353
local terms energy: -81.295049
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -18.132
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: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -245.116615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.116615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.116615 (E_RNA)
where:
Base-Base interactions energy: -156.864
where: short stacking energy: -77.763
Base-Backbone interact. energy: -0.129
local terms energy: -88.123151
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -240.247826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.247826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.247826 (E_RNA)
where:
Base-Base interactions energy: -156.990
where: short stacking energy: -61.393
Base-Backbone interact. energy: -2.007
local terms energy: -81.250655
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -122.010588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.010588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.010588 (E_RNA)
where:
Base-Base interactions energy: -55.205
where: short stacking energy: -38.414
Base-Backbone interact. energy: -1.621
local terms energy: -65.185035
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -113.494453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.494453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.494453 (E_RNA)
where:
Base-Base interactions energy: -56.654
where: short stacking energy: -33.117
Base-Backbone interact. energy: 0.003
local terms energy: -56.843079
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -1.536
tors. eta vs tors. theta energy: 1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -113.733864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.733864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.733864 (E_RNA)
where:
Base-Base interactions energy: -36.358
where: short stacking energy: -33.271
Base-Backbone interact. energy: 1.338
local terms energy: -78.714045
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -354.930888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.930888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.930888 (E_RNA)
where:
Base-Base interactions energy: -244.614
where: short stacking energy: -105.023
Base-Backbone interact. energy: -1.576
local terms energy: -108.740705
where:
bonds (distance) C4'-P energy: -24.478
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -32.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -338.237077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.237077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.237077 (E_RNA)
where:
Base-Base interactions energy: -229.296
where: short stacking energy: -100.003
Base-Backbone interact. energy: -1.135
local terms energy: -107.806898
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -31.095
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: 398
Temperature: 1.000000
Total energy: -334.821141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.821141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.821141 (E_RNA)
where:
Base-Base interactions energy: -225.846
where: short stacking energy: -99.228
Base-Backbone interact. energy: -0.006
local terms energy: -108.969760
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -32.150
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: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -329.552136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.552136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.552136 (E_RNA)
where:
Base-Base interactions energy: -223.793
where: short stacking energy: -101.148
Base-Backbone interact. energy: -0.604
local terms energy: -105.154435
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -32.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -261.349150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.349150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.349150 (E_RNA)
where:
Base-Base interactions energy: -168.100
where: short stacking energy: -79.600
Base-Backbone interact. energy: -0.010
local terms energy: -93.239612
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -23.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -249.687174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.687174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.687174 (E_RNA)
where:
Base-Base interactions energy: -160.399
where: short stacking energy: -84.009
Base-Backbone interact. energy: -0.496
local terms energy: -88.791910
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -23.430
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: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -252.613958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.613958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.613958 (E_RNA)
where:
Base-Base interactions energy: -156.282
where: short stacking energy: -80.454
Base-Backbone interact. energy: -0.105
local terms energy: -96.227243
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -22.518
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: 2
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -113.328301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.328301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.328301 (E_RNA)
where:
Base-Base interactions energy: -38.550
where: short stacking energy: -38.550
Base-Backbone interact. energy: -0.086
local terms energy: -74.692276
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: -6.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -107.179511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.179511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.179511 (E_RNA)
where:
Base-Base interactions energy: -45.169
where: short stacking energy: -42.907
Base-Backbone interact. energy: -0.488
local terms energy: -61.522342
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -109.600307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.600307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.600307 (E_RNA)
where:
Base-Base interactions energy: -40.423
where: short stacking energy: -34.301
Base-Backbone interact. energy: 0.002
local terms energy: -69.179596
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -354.420653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.420653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.420653 (E_RNA)
where:
Base-Base interactions energy: -234.042
where: short stacking energy: -103.972
Base-Backbone interact. energy: -0.528
local terms energy: -119.850541
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -32.862
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: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -322.360657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.360657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.360657 (E_RNA)
where:
Base-Base interactions energy: -214.437
where: short stacking energy: -99.154
Base-Backbone interact. energy: -0.004
local terms energy: -107.919487
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -30.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -340.703395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.703395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.703395 (E_RNA)
where:
Base-Base interactions energy: -236.200
where: short stacking energy: -102.585
Base-Backbone interact. energy: -0.966
local terms energy: -103.537229
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -29.851
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: 399
Temperature: 1.050000
Total energy: -332.188469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.188469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.188469 (E_RNA)
where:
Base-Base interactions energy: -219.421
where: short stacking energy: -93.379
Base-Backbone interact. energy: -3.529
local terms energy: -109.238161
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -32.084
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: 399
Temperature: 1.100000
Total energy: -271.061430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.061430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.061430 (E_RNA)
where:
Base-Base interactions energy: -172.590
where: short stacking energy: -85.157
Base-Backbone interact. energy: -0.331
local terms energy: -98.139742
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -22.462
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -26.631
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: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -251.218721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.218721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.218721 (E_RNA)
where:
Base-Base interactions energy: -167.019
where: short stacking energy: -80.393
Base-Backbone interact. energy: -0.757
local terms energy: -83.442767
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -24.337
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -252.331497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.331497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.331497 (E_RNA)
where:
Base-Base interactions energy: -159.274
where: short stacking energy: -75.639
Base-Backbone interact. energy: -0.038
local terms energy: -93.019476
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -19.522
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: 399
Temperature: 1.250000
Total energy: -110.271876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.271876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.271876 (E_RNA)
where:
Base-Base interactions energy: -42.873
where: short stacking energy: -42.776
Base-Backbone interact. energy: 0.105
local terms energy: -67.503886
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -3.259
tors. eta vs tors. theta energy: -8.094
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: 399
Temperature: 1.300000
Total energy: -110.356352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.356352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.356352 (E_RNA)
where:
Base-Base interactions energy: -45.030
where: short stacking energy: -29.472
Base-Backbone interact. energy: -0.678
local terms energy: -64.648787
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -106.940098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.940098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.940098 (E_RNA)
where:
Base-Base interactions energy: -35.356
where: short stacking energy: -35.356
Base-Backbone interact. energy: -0.869
local terms energy: -70.715271
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -11.206
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: 400
Temperature: 0.900000
Total energy: -337.830011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.830011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.830011 (E_RNA)
where:
Base-Base interactions energy: -219.073
where: short stacking energy: -97.853
Base-Backbone interact. energy: -0.001
local terms energy: -118.755759
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -33.872
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: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -342.740101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.740101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.740101 (E_RNA)
where:
Base-Base interactions energy: -229.950
where: short stacking energy: -97.124
Base-Backbone interact. energy: -0.149
local terms energy: -112.640709
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -28.502
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: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -330.908801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.908801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.908801 (E_RNA)
where:
Base-Base interactions energy: -219.768
where: short stacking energy: -93.277
Base-Backbone interact. energy: -1.762
local terms energy: -109.378450
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -31.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -328.100144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.100144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.100144 (E_RNA)
where:
Base-Base interactions energy: -216.800
where: short stacking energy: -98.312
Base-Backbone interact. energy: -1.337
local terms energy: -109.963121
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -32.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -261.658992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.658992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.658992 (E_RNA)
where:
Base-Base interactions energy: -166.864
where: short stacking energy: -79.570
Base-Backbone interact. energy: -0.325
local terms energy: -94.470742
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -12.515
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: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -259.204972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.204972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.204972 (E_RNA)
where:
Base-Base interactions energy: -169.004
where: short stacking energy: -83.400
Base-Backbone interact. energy: -0.475
local terms energy: -89.725568
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -13.356
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: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -236.500452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.500452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.500452 (E_RNA)
where:
Base-Base interactions energy: -153.022
where: short stacking energy: -73.371
Base-Backbone interact. energy: -0.007
local terms energy: -83.472088
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -24.465
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: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -122.240416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.240416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.240416 (E_RNA)
where:
Base-Base interactions energy: -57.287
where: short stacking energy: -54.757
Base-Backbone interact. energy: -0.233
local terms energy: -64.720527
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -107.955465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.955465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.955465 (E_RNA)
where:
Base-Base interactions energy: -37.004
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.439
local terms energy: -70.512025
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -106.019251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.019251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.019251 (E_RNA)
where:
Base-Base interactions energy: -33.809
where: short stacking energy: -32.304
Base-Backbone interact. energy: -0.490
local terms energy: -71.719964
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -353.368409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.368409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.368409 (E_RNA)
where:
Base-Base interactions energy: -235.298
where: short stacking energy: -103.904
Base-Backbone interact. energy: -2.210
local terms energy: -115.860556
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -33.919
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: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -336.751633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.751633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.751633 (E_RNA)
where:
Base-Base interactions energy: -223.403
where: short stacking energy: -98.370
Base-Backbone interact. energy: -1.718
local terms energy: -111.630725
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -22.171
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -31.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -323.919014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.919014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.919014 (E_RNA)
where:
Base-Base interactions energy: -226.830
where: short stacking energy: -95.242
Base-Backbone interact. energy: -0.126
local terms energy: -96.963432
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -29.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -323.872239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.872239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.872239 (E_RNA)
where:
Base-Base interactions energy: -217.632
where: short stacking energy: -95.634
Base-Backbone interact. energy: -0.293
local terms energy: -105.947880
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -24.614
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -29.381
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: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -263.122278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.122278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.122278 (E_RNA)
where:
Base-Base interactions energy: -174.074
where: short stacking energy: -91.818
Base-Backbone interact. energy: -0.897
local terms energy: -88.151628
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -13.386
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: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -277.620095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.620095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.620095 (E_RNA)
where:
Base-Base interactions energy: -171.513
where: short stacking energy: -78.484
Base-Backbone interact. energy: -0.994
local terms energy: -105.113019
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -22.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -248.063488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.063488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.063488 (E_RNA)
where:
Base-Base interactions energy: -151.686
where: short stacking energy: -71.919
Base-Backbone interact. energy: -0.154
local terms energy: -96.223303
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -109.900228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.900228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.900228 (E_RNA)
where:
Base-Base interactions energy: -40.755
where: short stacking energy: -38.311
Base-Backbone interact. energy: -0.382
local terms energy: -68.763733
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -101.379128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.379128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.379128 (E_RNA)
where:
Base-Base interactions energy: -39.406
where: short stacking energy: -35.271
Base-Backbone interact. energy: -0.221
local terms energy: -61.752749
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -98.751144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.751144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.751144 (E_RNA)
where:
Base-Base interactions energy: -38.328
where: short stacking energy: -38.328
Base-Backbone interact. energy: 0.688
local terms energy: -61.111171
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: 0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -343.391442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.391442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.391442 (E_RNA)
where:
Base-Base interactions energy: -233.772
where: short stacking energy: -102.165
Base-Backbone interact. energy: -0.466
local terms energy: -109.153886
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -31.210
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: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -341.917723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.917723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.917723 (E_RNA)
where:
Base-Base interactions energy: -231.645
where: short stacking energy: -104.593
Base-Backbone interact. energy: -0.556
local terms energy: -109.716750
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -33.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -326.305063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.305063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.305063 (E_RNA)
where:
Base-Base interactions energy: -214.133
where: short stacking energy: -92.025
Base-Backbone interact. energy: -0.706
local terms energy: -111.466232
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -29.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -328.872421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.872421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.872421 (E_RNA)
where:
Base-Base interactions energy: -223.266
where: short stacking energy: -101.830
Base-Backbone interact. energy: -1.830
local terms energy: -103.776569
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -34.561
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: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -264.681098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.681098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.681098 (E_RNA)
where:
Base-Base interactions energy: -167.963
where: short stacking energy: -88.163
Base-Backbone interact. energy: -0.002
local terms energy: -96.716314
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -28.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -251.629280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.629280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.629280 (E_RNA)
where:
Base-Base interactions energy: -148.434
where: short stacking energy: -75.017
Base-Backbone interact. energy: -1.044
local terms energy: -102.150833
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -16.051
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: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -256.151992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.151992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.151992 (E_RNA)
where:
Base-Base interactions energy: -164.846
where: short stacking energy: -82.928
Base-Backbone interact. energy: -0.853
local terms energy: -90.453239
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -25.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -122.045320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.045320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.045320 (E_RNA)
where:
Base-Base interactions energy: -49.874
where: short stacking energy: -49.874
Base-Backbone interact. energy: -0.264
local terms energy: -71.907972
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -8.406
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: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -105.742266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.742266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.742266 (E_RNA)
where:
Base-Base interactions energy: -45.802
where: short stacking energy: -40.866
Base-Backbone interact. energy: -0.143
local terms energy: -59.797939
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: 0.452
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: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -118.650003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.650003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.650003 (E_RNA)
where:
Base-Base interactions energy: -48.698
where: short stacking energy: -45.147
Base-Backbone interact. energy: -0.333
local terms energy: -69.618963
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -342.890118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.890118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.890118 (E_RNA)
where:
Base-Base interactions energy: -226.665
where: short stacking energy: -95.718
Base-Backbone interact. energy: -1.280
local terms energy: -114.945397
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -29.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -338.570415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.570415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.570415 (E_RNA)
where:
Base-Base interactions energy: -219.589
where: short stacking energy: -89.996
Base-Backbone interact. energy: -2.036
local terms energy: -116.945911
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -20.962
tors. eta vs tors. theta energy: -30.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -332.644898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.644898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.644898 (E_RNA)
where:
Base-Base interactions energy: -212.291
where: short stacking energy: -91.481
Base-Backbone interact. energy: -1.691
local terms energy: -118.662768
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -18.111
tors. eta vs tors. theta energy: -30.453
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: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -282.521182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.521182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.521182 (E_RNA)
where:
Base-Base interactions energy: -182.655
where: short stacking energy: -95.732
Base-Backbone interact. energy: -0.069
local terms energy: -99.796931
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -28.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -319.509167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.509167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.509167 (E_RNA)
where:
Base-Base interactions energy: -211.752
where: short stacking energy: -89.663
Base-Backbone interact. energy: -0.608
local terms energy: -107.148938
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -31.155
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: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -246.335244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.335244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.335244 (E_RNA)
where:
Base-Base interactions energy: -149.975
where: short stacking energy: -74.357
Base-Backbone interact. energy: -0.381
local terms energy: -95.978983
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -254.140918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.140918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.140918 (E_RNA)
where:
Base-Base interactions energy: -161.455
where: short stacking energy: -75.411
Base-Backbone interact. energy: -1.871
local terms energy: -90.815210
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -126.008023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.008023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.008023 (E_RNA)
where:
Base-Base interactions energy: -55.361
where: short stacking energy: -52.714
Base-Backbone interact. energy: -0.052
local terms energy: -70.595955
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -105.601176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.601176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.601176 (E_RNA)
where:
Base-Base interactions energy: -31.084
where: short stacking energy: -30.910
Base-Backbone interact. energy: -0.189
local terms energy: -74.328673
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -98.132170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.132170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.132170 (E_RNA)
where:
Base-Base interactions energy: -31.355
where: short stacking energy: -31.355
Base-Backbone interact. energy: -0.264
local terms energy: -66.512999
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -10.971
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: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -340.482990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.482990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.482990 (E_RNA)
where:
Base-Base interactions energy: -231.082
where: short stacking energy: -92.173
Base-Backbone interact. energy: -0.637
local terms energy: -108.763740
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -30.592
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: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -342.739514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.739514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.739514 (E_RNA)
where:
Base-Base interactions energy: -230.188
where: short stacking energy: -97.737
Base-Backbone interact. energy: -1.550
local terms energy: -111.001846
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -32.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -281.573737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.573737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.573737 (E_RNA)
where:
Base-Base interactions energy: -184.218
where: short stacking energy: -85.245
Base-Backbone interact. energy: -0.101
local terms energy: -97.254825
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -25.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -329.108830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.108830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.108830 (E_RNA)
where:
Base-Base interactions energy: -215.582
where: short stacking energy: -96.620
Base-Backbone interact. energy: -0.002
local terms energy: -113.525318
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -32.591
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: 404
Temperature: 1.100000
Total energy: -270.338065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.338065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.338065 (E_RNA)
where:
Base-Base interactions energy: -172.578
where: short stacking energy: -85.713
Base-Backbone interact. energy: -0.888
local terms energy: -96.871130
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -25.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -310.219361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.219361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.219361 (E_RNA)
where:
Base-Base interactions energy: -213.255
where: short stacking energy: -94.426
Base-Backbone interact. energy: -0.791
local terms energy: -96.173038
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -28.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -236.126328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.126328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.126328 (E_RNA)
where:
Base-Base interactions energy: -146.796
where: short stacking energy: -68.177
Base-Backbone interact. energy: -0.505
local terms energy: -88.825816
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -20.046
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: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -124.554494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.554494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.554494 (E_RNA)
where:
Base-Base interactions energy: -45.690
where: short stacking energy: -43.323
Base-Backbone interact. energy: -0.228
local terms energy: -78.636306
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -11.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -101.642545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.642545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.642545 (E_RNA)
where:
Base-Base interactions energy: -35.887
where: short stacking energy: -35.887
Base-Backbone interact. energy: -0.038
local terms energy: -65.717986
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -111.754780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.754780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.754780 (E_RNA)
where:
Base-Base interactions energy: -45.026
where: short stacking energy: -40.408
Base-Backbone interact. energy: -0.146
local terms energy: -66.582647
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -343.726208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.726208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.726208 (E_RNA)
where:
Base-Base interactions energy: -234.691
where: short stacking energy: -103.480
Base-Backbone interact. energy: -1.948
local terms energy: -107.087278
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -32.953
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: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -335.319971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.319971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.319971 (E_RNA)
where:
Base-Base interactions energy: -225.462
where: short stacking energy: -104.775
Base-Backbone interact. energy: -1.420
local terms energy: -108.438517
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -31.817
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: 405
Temperature: 1.000000
Total energy: -293.184216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.184216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.184216 (E_RNA)
where:
Base-Base interactions energy: -190.660
where: short stacking energy: -96.894
Base-Backbone interact. energy: -0.011
local terms energy: -102.512544
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -29.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -323.775434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.775434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.775434 (E_RNA)
where:
Base-Base interactions energy: -214.529
where: short stacking energy: -96.349
Base-Backbone interact. energy: -0.482
local terms energy: -108.763950
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -33.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -272.371702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.371702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.371702 (E_RNA)
where:
Base-Base interactions energy: -171.225
where: short stacking energy: -93.801
Base-Backbone interact. energy: -0.343
local terms energy: -100.803923
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -24.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -248.499157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.499157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.499157 (E_RNA)
where:
Base-Base interactions energy: -158.874
where: short stacking energy: -73.558
Base-Backbone interact. energy: -0.157
local terms energy: -89.468220
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -309.096138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.096138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.096138 (E_RNA)
where:
Base-Base interactions energy: -214.293
where: short stacking energy: -85.322
Base-Backbone interact. energy: 0.580
local terms energy: -95.382449
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -23.886
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: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -106.925803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.925803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.925803 (E_RNA)
where:
Base-Base interactions energy: -34.009
where: short stacking energy: -27.853
Base-Backbone interact. energy: -0.371
local terms energy: -72.545223
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -21.047
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: 1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -109.704098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.704098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.704098 (E_RNA)
where:
Base-Base interactions energy: -46.005
where: short stacking energy: -40.932
Base-Backbone interact. energy: -0.151
local terms energy: -63.548357
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -111.049287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.049287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.049287 (E_RNA)
where:
Base-Base interactions energy: -49.610
where: short stacking energy: -40.240
Base-Backbone interact. energy: 0.028
local terms energy: -61.466948
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -340.521817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.521817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.521817 (E_RNA)
where:
Base-Base interactions energy: -232.454
where: short stacking energy: -95.293
Base-Backbone interact. energy: -0.374
local terms energy: -107.693503
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -25.095
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -335.608995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.608995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.608995 (E_RNA)
where:
Base-Base interactions energy: -232.133
where: short stacking energy: -105.068
Base-Backbone interact. energy: -0.402
local terms energy: -103.073219
where:
bonds (distance) C4'-P energy: -7.654
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -25.978
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -31.516
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: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -327.215661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.215661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.215661 (E_RNA)
where:
Base-Base interactions energy: -223.908
where: short stacking energy: -103.051
Base-Backbone interact. energy: -0.642
local terms energy: -102.665886
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -30.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -290.533692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.533692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.533692 (E_RNA)
where:
Base-Base interactions energy: -192.962
where: short stacking energy: -87.175
Base-Backbone interact. energy: -0.174
local terms energy: -97.397148
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -25.717
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: 406
Temperature: 1.100000
Total energy: -266.640453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.640453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.640453 (E_RNA)
where:
Base-Base interactions energy: -174.178
where: short stacking energy: -82.470
Base-Backbone interact. energy: 0.298
local terms energy: -92.760426
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -11.531
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: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -263.953145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.953145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.953145 (E_RNA)
where:
Base-Base interactions energy: -159.045
where: short stacking energy: -73.462
Base-Backbone interact. energy: -0.115
local terms energy: -104.793367
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -22.593
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: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -305.852845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.852845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.852845 (E_RNA)
where:
Base-Base interactions energy: -205.955
where: short stacking energy: -85.790
Base-Backbone interact. energy: -0.812
local terms energy: -99.085842
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -29.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -108.310823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.310823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.310823 (E_RNA)
where:
Base-Base interactions energy: -42.828
where: short stacking energy: -34.556
Base-Backbone interact. energy: -0.527
local terms energy: -64.956528
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -110.280803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.280803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.280803 (E_RNA)
where:
Base-Base interactions energy: -47.886
where: short stacking energy: -42.137
Base-Backbone interact. energy: -0.431
local terms energy: -61.964137
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -87.111998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.111998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.111998 (E_RNA)
where:
Base-Base interactions energy: -19.449
where: short stacking energy: -18.455
Base-Backbone interact. energy: -0.326
local terms energy: -67.337375
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -345.993308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.993308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.993308 (E_RNA)
where:
Base-Base interactions energy: -238.393
where: short stacking energy: -105.639
Base-Backbone interact. energy: -0.001
local terms energy: -107.599307
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -31.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -338.616492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.616492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.616492 (E_RNA)
where:
Base-Base interactions energy: -226.860
where: short stacking energy: -99.113
Base-Backbone interact. energy: -1.452
local terms energy: -110.303588
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -29.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -330.398790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.398790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.398790 (E_RNA)
where:
Base-Base interactions energy: -214.843
where: short stacking energy: -91.735
Base-Backbone interact. energy: -1.367
local terms energy: -114.187932
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -30.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -273.647068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.647068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.647068 (E_RNA)
where:
Base-Base interactions energy: -177.702
where: short stacking energy: -87.684
Base-Backbone interact. energy: -0.053
local terms energy: -95.892132
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -22.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -276.500196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.500196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.500196 (E_RNA)
where:
Base-Base interactions energy: -170.128
where: short stacking energy: -76.234
Base-Backbone interact. energy: -0.008
local terms energy: -106.364273
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -26.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -285.991936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.991936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.991936 (E_RNA)
where:
Base-Base interactions energy: -194.664
where: short stacking energy: -81.116
Base-Backbone interact. energy: 0.934
local terms energy: -92.261974
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -14.680
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: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -253.260727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.260727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.260727 (E_RNA)
where:
Base-Base interactions energy: -166.954
where: short stacking energy: -81.763
Base-Backbone interact. energy: -0.429
local terms energy: -85.877790
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -120.607306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.607306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.607306 (E_RNA)
where:
Base-Base interactions energy: -41.355
where: short stacking energy: -37.439
Base-Backbone interact. energy: -0.461
local terms energy: -78.791220
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -8.984
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: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -107.557543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.557543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.557543 (E_RNA)
where:
Base-Base interactions energy: -50.458
where: short stacking energy: -44.950
Base-Backbone interact. energy: -0.515
local terms energy: -56.584787
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: 0.879
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: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -97.016202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.016202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.016202 (E_RNA)
where:
Base-Base interactions energy: -34.760
where: short stacking energy: -32.634
Base-Backbone interact. energy: -0.339
local terms energy: -61.917517
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: 6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -340.859495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.859495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.859495 (E_RNA)
where:
Base-Base interactions energy: -230.752
where: short stacking energy: -106.220
Base-Backbone interact. energy: -0.006
local terms energy: -110.101170
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -33.482
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: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -338.246148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.246148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.246148 (E_RNA)
where:
Base-Base interactions energy: -225.375
where: short stacking energy: -103.099
Base-Backbone interact. energy: -2.366
local terms energy: -110.505635
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -33.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -334.484845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.484845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.484845 (E_RNA)
where:
Base-Base interactions energy: -224.251
where: short stacking energy: -98.796
Base-Backbone interact. energy: -0.413
local terms energy: -109.820803
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -30.525
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: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -272.270458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.270458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.270458 (E_RNA)
where:
Base-Base interactions energy: -178.218
where: short stacking energy: -87.969
Base-Backbone interact. energy: -0.038
local terms energy: -94.014439
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -22.889
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: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -326.638750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.638750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.638750 (E_RNA)
where:
Base-Base interactions energy: -221.077
where: short stacking energy: -97.872
Base-Backbone interact. energy: -0.620
local terms energy: -104.941578
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -27.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -263.021549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.021549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.021549 (E_RNA)
where:
Base-Base interactions energy: -165.959
where: short stacking energy: -82.067
Base-Backbone interact. energy: 0.126
local terms energy: -97.188518
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -25.855
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: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -255.951325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.951325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.951325 (E_RNA)
where:
Base-Base interactions energy: -161.800
where: short stacking energy: -76.811
Base-Backbone interact. energy: -0.452
local terms energy: -93.698374
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -130.551170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.551170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.551170 (E_RNA)
where:
Base-Base interactions energy: -45.765
where: short stacking energy: -41.934
Base-Backbone interact. energy: -0.175
local terms energy: -84.611240
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -8.601
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: 408
Temperature: 1.300000
Total energy: -96.623808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.623808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.623808 (E_RNA)
where:
Base-Base interactions energy: -35.676
where: short stacking energy: -34.851
Base-Backbone interact. energy: -0.514
local terms energy: -60.433880
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: 1.771
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: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -108.914314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.914314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.914314 (E_RNA)
where:
Base-Base interactions energy: -55.823
where: short stacking energy: -29.034
Base-Backbone interact. energy: -1.038
local terms energy: -52.053014
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: 3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -341.141337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.141337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.141337 (E_RNA)
where:
Base-Base interactions energy: -235.064
where: short stacking energy: -97.942
Base-Backbone interact. energy: -0.991
local terms energy: -105.086098
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -32.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -331.639610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.639610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.639610 (E_RNA)
where:
Base-Base interactions energy: -221.600
where: short stacking energy: -105.724
Base-Backbone interact. energy: -0.032
local terms energy: -110.008142
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -31.118
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: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -330.864346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.864346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.864346 (E_RNA)
where:
Base-Base interactions energy: -222.903
where: short stacking energy: -99.759
Base-Backbone interact. energy: -0.214
local terms energy: -107.747432
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -31.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -318.086739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.086739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.086739 (E_RNA)
where:
Base-Base interactions energy: -216.618
where: short stacking energy: -88.110
Base-Backbone interact. energy: 2.218
local terms energy: -103.686313
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -29.538
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: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -271.685574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.685574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.685574 (E_RNA)
where:
Base-Base interactions energy: -169.252
where: short stacking energy: -93.316
Base-Backbone interact. energy: -0.201
local terms energy: -102.233242
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -28.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -253.668666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.668666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.668666 (E_RNA)
where:
Base-Base interactions energy: -158.846
where: short stacking energy: -87.640
Base-Backbone interact. energy: -0.075
local terms energy: -94.747625
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -25.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -243.438701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.438701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.438701 (E_RNA)
where:
Base-Base interactions energy: -145.217
where: short stacking energy: -69.132
Base-Backbone interact. energy: -0.041
local terms energy: -98.180844
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -24.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -153.121603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.121603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.121603 (E_RNA)
where:
Base-Base interactions energy: -82.065
where: short stacking energy: -48.097
Base-Backbone interact. energy: -0.927
local terms energy: -70.130524
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -102.208661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.208661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.208661 (E_RNA)
where:
Base-Base interactions energy: -34.442
where: short stacking energy: -33.871
Base-Backbone interact. energy: -0.040
local terms energy: -67.726523
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -3.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -95.885494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.885494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.885494 (E_RNA)
where:
Base-Base interactions energy: -27.687
where: short stacking energy: -24.062
Base-Backbone interact. energy: 1.021
local terms energy: -69.219722
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -348.718877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.718877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.718877 (E_RNA)
where:
Base-Base interactions energy: -238.059
where: short stacking energy: -105.547
Base-Backbone interact. energy: -1.941
local terms energy: -108.718980
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -26.838
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -34.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -337.938834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.938834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.938834 (E_RNA)
where:
Base-Base interactions energy: -221.586
where: short stacking energy: -97.987
Base-Backbone interact. energy: -0.439
local terms energy: -115.913975
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -29.862
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: 410
Temperature: 1.000000
Total energy: -342.343392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.343392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.343392 (E_RNA)
where:
Base-Base interactions energy: -226.212
where: short stacking energy: -101.549
Base-Backbone interact. energy: -0.817
local terms energy: -115.314282
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -31.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -324.295836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.295836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.295836 (E_RNA)
where:
Base-Base interactions energy: -212.059
where: short stacking energy: -86.981
Base-Backbone interact. energy: -0.978
local terms energy: -111.259173
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -26.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -267.720156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.720156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.720156 (E_RNA)
where:
Base-Base interactions energy: -163.440
where: short stacking energy: -75.036
Base-Backbone interact. energy: -0.177
local terms energy: -104.103075
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -255.193659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.193659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.193659 (E_RNA)
where:
Base-Base interactions energy: -159.926
where: short stacking energy: -69.029
Base-Backbone interact. energy: -0.424
local terms energy: -94.843417
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -22.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -213.348020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.348020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.348020 (E_RNA)
where:
Base-Base interactions energy: -128.628
where: short stacking energy: -68.059
Base-Backbone interact. energy: -0.182
local terms energy: -84.538039
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -14.092
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: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -145.658702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.658702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.658702 (E_RNA)
where:
Base-Base interactions energy: -81.402
where: short stacking energy: -51.307
Base-Backbone interact. energy: -0.683
local terms energy: -63.574043
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -113.148843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.148843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.148843 (E_RNA)
where:
Base-Base interactions energy: -39.765
where: short stacking energy: -30.174
Base-Backbone interact. energy: 0.306
local terms energy: -73.690378
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -108.741024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.741024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.741024 (E_RNA)
where:
Base-Base interactions energy: -43.326
where: short stacking energy: -31.706
Base-Backbone interact. energy: 1.050
local terms energy: -66.465076
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -345.126125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.126125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.126125 (E_RNA)
where:
Base-Base interactions energy: -231.151
where: short stacking energy: -111.038
Base-Backbone interact. energy: -0.001
local terms energy: -113.974071
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -32.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -344.395006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.395006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.395006 (E_RNA)
where:
Base-Base interactions energy: -232.163
where: short stacking energy: -105.436
Base-Backbone interact. energy: -0.772
local terms energy: -111.459950
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -34.374
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: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -337.144286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.144286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.144286 (E_RNA)
where:
Base-Base interactions energy: -227.124
where: short stacking energy: -98.761
Base-Backbone interact. energy: -0.012
local terms energy: -110.008065
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -29.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -335.298643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.298643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.298643 (E_RNA)
where:
Base-Base interactions energy: -220.228
where: short stacking energy: -92.429
Base-Backbone interact. energy: -1.299
local terms energy: -113.771130
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -18.778
tors. eta vs tors. theta energy: -30.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -261.198277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.198277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.198277 (E_RNA)
where:
Base-Base interactions energy: -161.569
where: short stacking energy: -77.013
Base-Backbone interact. energy: -0.596
local terms energy: -99.033528
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -21.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -263.221401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.221401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.221401 (E_RNA)
where:
Base-Base interactions energy: -172.007
where: short stacking energy: -87.261
Base-Backbone interact. energy: -0.096
local terms energy: -91.117970
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -25.424
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: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -185.514688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.514688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.514688 (E_RNA)
where:
Base-Base interactions energy: -99.735
where: short stacking energy: -50.794
Base-Backbone interact. energy: -0.819
local terms energy: -84.960097
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -160.442065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.442065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.442065 (E_RNA)
where:
Base-Base interactions energy: -100.259
where: short stacking energy: -59.345
Base-Backbone interact. energy: 0.332
local terms energy: -60.514617
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -8.075
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -9.237
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: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -111.403591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.403591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.403591 (E_RNA)
where:
Base-Base interactions energy: -43.510
where: short stacking energy: -31.052
Base-Backbone interact. energy: -0.508
local terms energy: -67.386010
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -20.610
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -2.698
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: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -89.911622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.911622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.911622 (E_RNA)
where:
Base-Base interactions energy: -36.053
where: short stacking energy: -31.354
Base-Backbone interact. energy: 0.952
local terms energy: -54.811077
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: 3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -351.478865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.478865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.478865 (E_RNA)
where:
Base-Base interactions energy: -229.873
where: short stacking energy: -106.571
Base-Backbone interact. energy: -0.915
local terms energy: -120.690705
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -33.801
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: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -341.485556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.485556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.485556 (E_RNA)
where:
Base-Base interactions energy: -226.119
where: short stacking energy: -102.037
Base-Backbone interact. energy: -0.293
local terms energy: -115.073223
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -25.548
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -32.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -334.766503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.766503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.766503 (E_RNA)
where:
Base-Base interactions energy: -220.427
where: short stacking energy: -105.502
Base-Backbone interact. energy: 1.032
local terms energy: -115.371466
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -23.363
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -33.525
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: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -329.479737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.479737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.479737 (E_RNA)
where:
Base-Base interactions energy: -216.484
where: short stacking energy: -94.582
Base-Backbone interact. energy: -1.294
local terms energy: -111.701491
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -29.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -279.741321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.741321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.741321 (E_RNA)
where:
Base-Base interactions energy: -175.723
where: short stacking energy: -88.541
Base-Backbone interact. energy: -0.142
local terms energy: -103.876194
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -23.840
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -27.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -253.321055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.321055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.321055 (E_RNA)
where:
Base-Base interactions energy: -163.417
where: short stacking energy: -88.803
Base-Backbone interact. energy: -0.773
local terms energy: -89.131670
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -213.689876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.689876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.689876 (E_RNA)
where:
Base-Base interactions energy: -133.257
where: short stacking energy: -63.083
Base-Backbone interact. energy: -0.114
local terms energy: -80.318582
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -177.959977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.959977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.959977 (E_RNA)
where:
Base-Base interactions energy: -101.908
where: short stacking energy: -40.865
Base-Backbone interact. energy: -0.896
local terms energy: -75.155360
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -127.383779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.383779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.383779 (E_RNA)
where:
Base-Base interactions energy: -59.814
where: short stacking energy: -50.974
Base-Backbone interact. energy: -0.315
local terms energy: -67.254206
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -95.339283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.339283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.339283 (E_RNA)
where:
Base-Base interactions energy: -26.616
where: short stacking energy: -22.128
Base-Backbone interact. energy: -0.150
local terms energy: -68.573317
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -13.866
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: 10
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -342.073000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.073000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.073000 (E_RNA)
where:
Base-Base interactions energy: -228.313
where: short stacking energy: -108.689
Base-Backbone interact. energy: 0.122
local terms energy: -113.881806
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -30.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -340.032330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.032330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.032330 (E_RNA)
where:
Base-Base interactions energy: -230.246
where: short stacking energy: -101.450
Base-Backbone interact. energy: -0.078
local terms energy: -109.707344
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -31.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -324.576186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.576186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.576186 (E_RNA)
where:
Base-Base interactions energy: -230.133
where: short stacking energy: -102.767
Base-Backbone interact. energy: -0.401
local terms energy: -94.042749
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -26.459
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: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -321.262630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.262630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.262630 (E_RNA)
where:
Base-Base interactions energy: -225.012
where: short stacking energy: -98.053
Base-Backbone interact. energy: -0.626
local terms energy: -95.625190
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -27.069
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: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -267.870169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.870169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.870169 (E_RNA)
where:
Base-Base interactions energy: -176.581
where: short stacking energy: -82.644
Base-Backbone interact. energy: -0.284
local terms energy: -91.005404
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -23.689
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -16.654
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: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -253.253033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.253033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.253033 (E_RNA)
where:
Base-Base interactions energy: -154.763
where: short stacking energy: -74.743
Base-Backbone interact. energy: -0.771
local terms energy: -97.719223
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -217.254670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.254670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.254670 (E_RNA)
where:
Base-Base interactions energy: -140.291
where: short stacking energy: -59.266
Base-Backbone interact. energy: -0.457
local terms energy: -76.506608
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -14.148
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: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -132.705930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.705930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.705930 (E_RNA)
where:
Base-Base interactions energy: -56.437
where: short stacking energy: -35.812
Base-Backbone interact. energy: -2.147
local terms energy: -74.122639
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -107.169161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.169161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.169161 (E_RNA)
where:
Base-Base interactions energy: -42.427
where: short stacking energy: -37.992
Base-Backbone interact. energy: -1.364
local terms energy: -63.378721
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: 0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -105.866994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.866994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.866994 (E_RNA)
where:
Base-Base interactions energy: -37.248
where: short stacking energy: -35.813
Base-Backbone interact. energy: -0.877
local terms energy: -67.741551
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -349.518861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.518861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.518861 (E_RNA)
where:
Base-Base interactions energy: -234.881
where: short stacking energy: -101.526
Base-Backbone interact. energy: -0.595
local terms energy: -114.041936
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -34.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -334.250571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.250571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.250571 (E_RNA)
where:
Base-Base interactions energy: -225.020
where: short stacking energy: -89.863
Base-Backbone interact. energy: -0.264
local terms energy: -108.966903
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -20.535
tors. eta vs tors. theta energy: -28.147
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: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -340.782500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.782500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.782500 (E_RNA)
where:
Base-Base interactions energy: -229.941
where: short stacking energy: -100.258
Base-Backbone interact. energy: -1.751
local terms energy: -109.091187
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -33.969
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: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -321.718785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.718785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.718785 (E_RNA)
where:
Base-Base interactions energy: -217.440
where: short stacking energy: -99.766
Base-Backbone interact. energy: -0.529
local terms energy: -103.749806
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -28.808
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: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -276.937189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.937189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.937189 (E_RNA)
where:
Base-Base interactions energy: -172.943
where: short stacking energy: -87.601
Base-Backbone interact. energy: -0.286
local terms energy: -103.707802
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -20.603
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -26.354
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: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -249.866684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.866684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.866684 (E_RNA)
where:
Base-Base interactions energy: -158.402
where: short stacking energy: -79.492
Base-Backbone interact. energy: -0.004
local terms energy: -91.461240
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -213.303465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.303465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.303465 (E_RNA)
where:
Base-Base interactions energy: -136.563
where: short stacking energy: -69.478
Base-Backbone interact. energy: -0.284
local terms energy: -76.456274
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -119.629947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.629947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.629947 (E_RNA)
where:
Base-Base interactions energy: -48.967
where: short stacking energy: -48.967
Base-Backbone interact. energy: -0.042
local terms energy: -70.621667
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -4.246
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: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -105.682856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.682856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.682856 (E_RNA)
where:
Base-Base interactions energy: -37.490
where: short stacking energy: -35.342
Base-Backbone interact. energy: -0.149
local terms energy: -68.043647
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -112.952841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.952841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.952841 (E_RNA)
where:
Base-Base interactions energy: -42.479
where: short stacking energy: -35.992
Base-Backbone interact. energy: -0.463
local terms energy: -70.011410
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -8.196
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: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -346.401285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.401285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.401285 (E_RNA)
where:
Base-Base interactions energy: -232.084
where: short stacking energy: -104.343
Base-Backbone interact. energy: -1.817
local terms energy: -112.499401
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -34.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -338.987689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.987689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.987689 (E_RNA)
where:
Base-Base interactions energy: -229.874
where: short stacking energy: -101.041
Base-Backbone interact. energy: -0.575
local terms energy: -108.539196
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -30.380
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: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -334.326933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.326933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.326933 (E_RNA)
where:
Base-Base interactions energy: -216.003
where: short stacking energy: -90.968
Base-Backbone interact. energy: -0.595
local terms energy: -117.729238
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -33.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -328.276215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.276215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.276215 (E_RNA)
where:
Base-Base interactions energy: -218.461
where: short stacking energy: -102.511
Base-Backbone interact. energy: -0.611
local terms energy: -109.204977
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -23.966
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -30.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -273.717984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.717984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.717984 (E_RNA)
where:
Base-Base interactions energy: -169.570
where: short stacking energy: -84.237
Base-Backbone interact. energy: -0.023
local terms energy: -104.124233
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -29.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -265.469301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.469301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.469301 (E_RNA)
where:
Base-Base interactions energy: -172.918
where: short stacking energy: -80.702
Base-Backbone interact. energy: -0.166
local terms energy: -92.385315
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -22.394
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -215.768419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.768419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.768419 (E_RNA)
where:
Base-Base interactions energy: -134.727
where: short stacking energy: -61.002
Base-Backbone interact. energy: -0.183
local terms energy: -80.858788
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -121.458531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.458531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.458531 (E_RNA)
where:
Base-Base interactions energy: -44.834
where: short stacking energy: -44.933
Base-Backbone interact. energy: -0.080
local terms energy: -76.545201
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -119.443364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.443364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.443364 (E_RNA)
where:
Base-Base interactions energy: -45.029
where: short stacking energy: -39.298
Base-Backbone interact. energy: -0.106
local terms energy: -74.308401
where:
bonds (distance) C4'-P energy: -19.571
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -111.496157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.496157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.496157 (E_RNA)
where:
Base-Base interactions energy: -46.437
where: short stacking energy: -32.084
Base-Backbone interact. energy: 1.529
local terms energy: -66.587818
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -340.224262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.224262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.224262 (E_RNA)
where:
Base-Base interactions energy: -229.220
where: short stacking energy: -100.805
Base-Backbone interact. energy: -0.651
local terms energy: -110.353689
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -29.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -340.201400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.201400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.201400 (E_RNA)
where:
Base-Base interactions energy: -223.014
where: short stacking energy: -109.135
Base-Backbone interact. energy: -0.907
local terms energy: -116.280703
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -34.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -329.232701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.232701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.232701 (E_RNA)
where:
Base-Base interactions energy: -222.305
where: short stacking energy: -96.311
Base-Backbone interact. energy: 0.004
local terms energy: -106.931965
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -31.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -327.727709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.727709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.727709 (E_RNA)
where:
Base-Base interactions energy: -221.781
where: short stacking energy: -97.991
Base-Backbone interact. energy: -0.273
local terms energy: -105.673866
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -23.618
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -30.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -279.137512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.137512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.137512 (E_RNA)
where:
Base-Base interactions energy: -176.526
where: short stacking energy: -95.089
Base-Backbone interact. energy: -0.461
local terms energy: -102.150226
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -30.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -248.484734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.484734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.484734 (E_RNA)
where:
Base-Base interactions energy: -166.295
where: short stacking energy: -84.717
Base-Backbone interact. energy: 0.209
local terms energy: -82.398039
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -123.797483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.797483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.797483 (E_RNA)
where:
Base-Base interactions energy: -49.139
where: short stacking energy: -48.477
Base-Backbone interact. energy: -0.161
local terms energy: -74.498034
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -222.306586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.306586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.306586 (E_RNA)
where:
Base-Base interactions energy: -134.095
where: short stacking energy: -62.405
Base-Backbone interact. energy: -0.114
local terms energy: -88.097814
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -11.195
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: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -119.847713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.847713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.847713 (E_RNA)
where:
Base-Base interactions energy: -43.890
where: short stacking energy: -40.405
Base-Backbone interact. energy: -0.038
local terms energy: -75.919586
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -107.911061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.911061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.911061 (E_RNA)
where:
Base-Base interactions energy: -52.552
where: short stacking energy: -33.184
Base-Backbone interact. energy: -0.484
local terms energy: -54.874802
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: 3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -342.116481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.116481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.116481 (E_RNA)
where:
Base-Base interactions energy: -232.763
where: short stacking energy: -102.493
Base-Backbone interact. energy: -0.457
local terms energy: -108.896971
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -31.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -338.687634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.687634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.687634 (E_RNA)
where:
Base-Base interactions energy: -222.141
where: short stacking energy: -94.121
Base-Backbone interact. energy: -0.124
local terms energy: -116.422477
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -31.990
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: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -329.746524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.746524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.746524 (E_RNA)
where:
Base-Base interactions energy: -232.386
where: short stacking energy: -93.996
Base-Backbone interact. energy: -0.600
local terms energy: -96.760158
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -19.609
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -29.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -320.738272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.738272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.738272 (E_RNA)
where:
Base-Base interactions energy: -219.440
where: short stacking energy: -98.178
Base-Backbone interact. energy: -0.602
local terms energy: -100.696186
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -30.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -274.877944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.877944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.877944 (E_RNA)
where:
Base-Base interactions energy: -185.060
where: short stacking energy: -82.844
Base-Backbone interact. energy: -1.692
local terms energy: -88.125683
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -24.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -254.797515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.797515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.797515 (E_RNA)
where:
Base-Base interactions energy: -161.819
where: short stacking energy: -88.332
Base-Backbone interact. energy: -0.282
local terms energy: -92.696406
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -25.080
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: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -136.549386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.549386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.549386 (E_RNA)
where:
Base-Base interactions energy: -57.111
where: short stacking energy: -42.582
Base-Backbone interact. energy: 0.131
local terms energy: -79.568894
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -177.226753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.226753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.226753 (E_RNA)
where:
Base-Base interactions energy: -99.889
where: short stacking energy: -44.086
Base-Backbone interact. energy: -0.578
local terms energy: -76.758986
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -13.000
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: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -113.392111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.392111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.392111 (E_RNA)
where:
Base-Base interactions energy: -44.827
where: short stacking energy: -44.827
Base-Backbone interact. energy: 2.649
local terms energy: -71.214065
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -100.335788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.335788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.335788 (E_RNA)
where:
Base-Base interactions energy: -44.144
where: short stacking energy: -39.700
Base-Backbone interact. energy: -0.488
local terms energy: -55.703374
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -339.201997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.201997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.201997 (E_RNA)
where:
Base-Base interactions energy: -226.108
where: short stacking energy: -103.248
Base-Backbone interact. energy: -0.077
local terms energy: -113.016791
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -33.908
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: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -339.304501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.304501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.304501 (E_RNA)
where:
Base-Base interactions energy: -220.975
where: short stacking energy: -91.538
Base-Backbone interact. energy: -1.709
local terms energy: -116.620578
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -26.242
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -32.258
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: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -335.713743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.713743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.713743 (E_RNA)
where:
Base-Base interactions energy: -222.836
where: short stacking energy: -97.018
Base-Backbone interact. energy: -1.086
local terms energy: -111.791463
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -31.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -322.718915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.718915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.718915 (E_RNA)
where:
Base-Base interactions energy: -211.626
where: short stacking energy: -93.701
Base-Backbone interact. energy: -0.093
local terms energy: -111.000014
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -28.775
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: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -279.391091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.391091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.391091 (E_RNA)
where:
Base-Base interactions energy: -180.328
where: short stacking energy: -86.928
Base-Backbone interact. energy: -0.569
local terms energy: -98.494269
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -23.615
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: 418
Temperature: 1.150000
Total energy: -264.808682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.808682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.808682 (E_RNA)
where:
Base-Base interactions energy: -167.498
where: short stacking energy: -85.177
Base-Backbone interact. energy: -1.184
local terms energy: -96.126519
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -191.286252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.286252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.286252 (E_RNA)
where:
Base-Base interactions energy: -108.486
where: short stacking energy: -60.963
Base-Backbone interact. energy: 0.130
local terms energy: -82.930586
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -17.162
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: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -127.084671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.084671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.084671 (E_RNA)
where:
Base-Base interactions energy: -72.133
where: short stacking energy: -28.846
Base-Backbone interact. energy: -0.197
local terms energy: -54.754509
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: 1.522
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: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -103.820057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.820057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.820057 (E_RNA)
where:
Base-Base interactions energy: -33.856
where: short stacking energy: -28.212
Base-Backbone interact. energy: -0.400
local terms energy: -69.564187
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: 1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -119.484628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.484628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.484628 (E_RNA)
where:
Base-Base interactions energy: -53.458
where: short stacking energy: -51.603
Base-Backbone interact. energy: -0.635
local terms energy: -65.391745
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -343.206676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.206676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.206676 (E_RNA)
where:
Base-Base interactions energy: -222.270
where: short stacking energy: -101.750
Base-Backbone interact. energy: -0.656
local terms energy: -120.280702
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -32.580
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: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -341.274673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.274673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.274673 (E_RNA)
where:
Base-Base interactions energy: -231.972
where: short stacking energy: -105.500
Base-Backbone interact. energy: -0.022
local terms energy: -109.281178
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -25.917
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -33.895
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: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -338.400964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.400964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.400964 (E_RNA)
where:
Base-Base interactions energy: -227.094
where: short stacking energy: -100.912
Base-Backbone interact. energy: -0.185
local terms energy: -111.122261
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -31.292
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: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -324.953846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.953846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.953846 (E_RNA)
where:
Base-Base interactions energy: -217.926
where: short stacking energy: -95.345
Base-Backbone interact. energy: -0.702
local terms energy: -106.325859
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -31.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -263.444820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.444820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.444820 (E_RNA)
where:
Base-Base interactions energy: -166.398
where: short stacking energy: -87.699
Base-Backbone interact. energy: -0.181
local terms energy: -96.866610
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -17.871
tors. eta vs tors. theta energy: -25.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -260.304610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.304610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.304610 (E_RNA)
where:
Base-Base interactions energy: -175.107
where: short stacking energy: -81.409
Base-Backbone interact. energy: -0.049
local terms energy: -85.148581
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -17.607
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: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -172.104000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.104000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.104000 (E_RNA)
where:
Base-Base interactions energy: -99.872
where: short stacking energy: -54.669
Base-Backbone interact. energy: -2.125
local terms energy: -70.107140
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -7.238
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: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -113.332932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.332932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.332932 (E_RNA)
where:
Base-Base interactions energy: -46.691
where: short stacking energy: -34.679
Base-Backbone interact. energy: 0.648
local terms energy: -67.289480
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -102.808429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.808429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.808429 (E_RNA)
where:
Base-Base interactions energy: -34.172
where: short stacking energy: -28.263
Base-Backbone interact. energy: 0.143
local terms energy: -68.779849
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -104.169574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.169574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.169574 (E_RNA)
where:
Base-Base interactions energy: -35.726
where: short stacking energy: -31.382
Base-Backbone interact. energy: 2.093
local terms energy: -70.536509
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -352.330739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.330739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.330739 (E_RNA)
where:
Base-Base interactions energy: -236.859
where: short stacking energy: -106.034
Base-Backbone interact. energy: -0.010
local terms energy: -115.461007
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -16.355
tors. eta vs tors. theta energy: -33.250
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: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -341.654943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.654943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.654943 (E_RNA)
where:
Base-Base interactions energy: -224.871
where: short stacking energy: -96.659
Base-Backbone interact. energy: -1.945
local terms energy: -114.839148
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -30.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -336.262228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.262228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.262228 (E_RNA)
where:
Base-Base interactions energy: -224.148
where: short stacking energy: -93.197
Base-Backbone interact. energy: -0.415
local terms energy: -111.698804
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -21.295
flat angles C4'-P-C4' energy: -26.887
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -31.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -333.158160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.158160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.158160 (E_RNA)
where:
Base-Base interactions energy: -225.582
where: short stacking energy: -90.069
Base-Backbone interact. energy: -0.351
local terms energy: -107.225574
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -30.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -269.044455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.044455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.044455 (E_RNA)
where:
Base-Base interactions energy: -170.722
where: short stacking energy: -89.592
Base-Backbone interact. energy: -0.097
local terms energy: -98.224694
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -21.746
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: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -253.806728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.806728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.806728 (E_RNA)
where:
Base-Base interactions energy: -165.795
where: short stacking energy: -80.399
Base-Backbone interact. energy: -0.074
local terms energy: -87.937622
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -21.545
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: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -207.261270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.261270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.261270 (E_RNA)
where:
Base-Base interactions energy: -137.583
where: short stacking energy: -58.152
Base-Backbone interact. energy: 1.994
local terms energy: -71.672403
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -108.220486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.220486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.220486 (E_RNA)
where:
Base-Base interactions energy: -46.187
where: short stacking energy: -21.982
Base-Backbone interact. energy: -0.195
local terms energy: -61.838522
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: 1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -125.009211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.009211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.009211 (E_RNA)
where:
Base-Base interactions energy: -56.010
where: short stacking energy: -43.550
Base-Backbone interact. energy: -0.564
local terms energy: -68.435436
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -103.251839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.251839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.251839 (E_RNA)
where:
Base-Base interactions energy: -34.089
where: short stacking energy: -29.621
Base-Backbone interact. energy: -0.229
local terms energy: -68.934499
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -357.871218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.871218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.871218 (E_RNA)
where:
Base-Base interactions energy: -238.814
where: short stacking energy: -100.977
Base-Backbone interact. energy: -0.495
local terms energy: -118.562004
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -341.367032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.367032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.367032 (E_RNA)
where:
Base-Base interactions energy: -229.629
where: short stacking energy: -104.147
Base-Backbone interact. energy: 0.010
local terms energy: -111.748620
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -23.724
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -30.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -329.611569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.611569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.611569 (E_RNA)
where:
Base-Base interactions energy: -216.725
where: short stacking energy: -99.586
Base-Backbone interact. energy: -1.200
local terms energy: -111.685733
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -29.827
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: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -325.835488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.835488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.835488 (E_RNA)
where:
Base-Base interactions energy: -211.489
where: short stacking energy: -93.527
Base-Backbone interact. energy: -1.249
local terms energy: -113.097089
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -33.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -265.786853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.786853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.786853 (E_RNA)
where:
Base-Base interactions energy: -164.466
where: short stacking energy: -82.321
Base-Backbone interact. energy: -0.087
local terms energy: -101.233706
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -29.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -256.747939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.747939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.747939 (E_RNA)
where:
Base-Base interactions energy: -161.703
where: short stacking energy: -87.676
Base-Backbone interact. energy: -0.893
local terms energy: -94.151703
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -137.114746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.114746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.114746 (E_RNA)
where:
Base-Base interactions energy: -68.922
where: short stacking energy: -41.928
Base-Backbone interact. energy: -0.118
local terms energy: -68.074112
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -114.790292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.790292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.790292 (E_RNA)
where:
Base-Base interactions energy: -45.287
where: short stacking energy: -45.287
Base-Backbone interact. energy: -0.325
local terms energy: -69.178643
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -13.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -128.371176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.371176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.371176 (E_RNA)
where:
Base-Base interactions energy: -54.913
where: short stacking energy: -41.214
Base-Backbone interact. energy: -0.059
local terms energy: -73.399520
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -95.721568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.721568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.721568 (E_RNA)
where:
Base-Base interactions energy: -30.035
where: short stacking energy: -27.962
Base-Backbone interact. energy: 1.930
local terms energy: -67.616245
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: 0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -353.181498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.181498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.181498 (E_RNA)
where:
Base-Base interactions energy: -234.331
where: short stacking energy: -108.525
Base-Backbone interact. energy: -0.352
local terms energy: -118.498120
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -26.097
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -33.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -333.284891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.284891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.284891 (E_RNA)
where:
Base-Base interactions energy: -228.343
where: short stacking energy: -104.848
Base-Backbone interact. energy: -0.402
local terms energy: -104.539654
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -31.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -329.051877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.051877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.051877 (E_RNA)
where:
Base-Base interactions energy: -226.876
where: short stacking energy: -99.693
Base-Backbone interact. energy: -0.469
local terms energy: -101.707329
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -32.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -336.017971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.017971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.017971 (E_RNA)
where:
Base-Base interactions energy: -221.768
where: short stacking energy: -98.711
Base-Backbone interact. energy: -3.232
local terms energy: -111.018158
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -31.758
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: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -264.001253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.001253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.001253 (E_RNA)
where:
Base-Base interactions energy: -172.133
where: short stacking energy: -77.989
Base-Backbone interact. energy: -0.208
local terms energy: -91.660155
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -18.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -258.583490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.583490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.583490 (E_RNA)
where:
Base-Base interactions energy: -167.098
where: short stacking energy: -82.571
Base-Backbone interact. energy: -0.157
local terms energy: -91.329119
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -21.705
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: 422
Temperature: 1.200000
Total energy: -134.002919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.002919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.002919 (E_RNA)
where:
Base-Base interactions energy: -59.893
where: short stacking energy: -59.322
Base-Backbone interact. energy: -0.032
local terms energy: -74.077277
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -106.612583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.612583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.612583 (E_RNA)
where:
Base-Base interactions energy: -37.153
where: short stacking energy: -28.337
Base-Backbone interact. energy: -0.665
local terms energy: -68.794159
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -6.969
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: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -106.955097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.955097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.955097 (E_RNA)
where:
Base-Base interactions energy: -31.918
where: short stacking energy: -30.264
Base-Backbone interact. energy: -0.132
local terms energy: -74.905044
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -110.171862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.171862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.171862 (E_RNA)
where:
Base-Base interactions energy: -39.419
where: short stacking energy: -29.044
Base-Backbone interact. energy: -0.172
local terms energy: -70.581196
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -346.317321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.317321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.317321 (E_RNA)
where:
Base-Base interactions energy: -227.031
where: short stacking energy: -93.739
Base-Backbone interact. energy: -0.303
local terms energy: -118.983523
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -19.134
tors. eta vs tors. theta energy: -34.151
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: 2, replica: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -345.293715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.293715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.293715 (E_RNA)
where:
Base-Base interactions energy: -225.322
where: short stacking energy: -108.453
Base-Backbone interact. energy: -0.346
local terms energy: -119.625882
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -32.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -326.778609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.778609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.778609 (E_RNA)
where:
Base-Base interactions energy: -223.974
where: short stacking energy: -90.672
Base-Backbone interact. energy: -2.114
local terms energy: -100.690206
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -26.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -271.044974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.044974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.044974 (E_RNA)
where:
Base-Base interactions energy: -174.355
where: short stacking energy: -86.549
Base-Backbone interact. energy: -0.035
local terms energy: -96.654473
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -25.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -304.546258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.546258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.546258 (E_RNA)
where:
Base-Base interactions energy: -206.071
where: short stacking energy: -82.818
Base-Backbone interact. energy: -2.546
local terms energy: -95.928502
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -25.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -263.547741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.547741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.547741 (E_RNA)
where:
Base-Base interactions energy: -162.022
where: short stacking energy: -79.100
Base-Backbone interact. energy: -0.084
local terms energy: -101.442094
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -29.182
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: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -158.890046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.890046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.890046 (E_RNA)
where:
Base-Base interactions energy: -86.233
where: short stacking energy: -52.012
Base-Backbone interact. energy: -0.379
local terms energy: -72.277939
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -112.791437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.791437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.791437 (E_RNA)
where:
Base-Base interactions energy: -48.913
where: short stacking energy: -41.943
Base-Backbone interact. energy: -0.537
local terms energy: -63.341830
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -6.540
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: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -111.467524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.467524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.467524 (E_RNA)
where:
Base-Base interactions energy: -49.717
where: short stacking energy: -45.801
Base-Backbone interact. energy: 0.161
local terms energy: -61.910906
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -3.786
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: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -100.396922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.396922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.396922 (E_RNA)
where:
Base-Base interactions energy: -39.957
where: short stacking energy: -36.495
Base-Backbone interact. energy: -0.331
local terms energy: -60.109286
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -346.731809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.731809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.731809 (E_RNA)
where:
Base-Base interactions energy: -224.482
where: short stacking energy: -102.096
Base-Backbone interact. energy: -0.061
local terms energy: -122.189107
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -19.493
tors. eta vs tors. theta energy: -31.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -338.771370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.771370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.771370 (E_RNA)
where:
Base-Base interactions energy: -228.234
where: short stacking energy: -101.870
Base-Backbone interact. energy: 0.913
local terms energy: -111.449454
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -33.169
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: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -338.994143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.994143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.994143 (E_RNA)
where:
Base-Base interactions energy: -229.043
where: short stacking energy: -89.743
Base-Backbone interact. energy: -1.533
local terms energy: -108.418092
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -29.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -269.043395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.043395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.043395 (E_RNA)
where:
Base-Base interactions energy: -174.059
where: short stacking energy: -80.825
Base-Backbone interact. energy: -1.005
local terms energy: -93.979814
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -312.417437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.417437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.417437 (E_RNA)
where:
Base-Base interactions energy: -212.076
where: short stacking energy: -90.673
Base-Backbone interact. energy: 0.333
local terms energy: -100.674468
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -25.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -242.716118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.716118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.716118 (E_RNA)
where:
Base-Base interactions energy: -156.629
where: short stacking energy: -73.047
Base-Backbone interact. energy: 0.134
local terms energy: -86.220895
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -130.702003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.702003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.702003 (E_RNA)
where:
Base-Base interactions energy: -49.940
where: short stacking energy: -35.044
Base-Backbone interact. energy: -0.701
local terms energy: -80.060620
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -117.847419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.847419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.847419 (E_RNA)
where:
Base-Base interactions energy: -43.198
where: short stacking energy: -43.148
Base-Backbone interact. energy: -0.572
local terms energy: -74.077594
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -123.638470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.638470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.638470 (E_RNA)
where:
Base-Base interactions energy: -67.113
where: short stacking energy: -38.553
Base-Backbone interact. energy: -0.293
local terms energy: -56.232021
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -9.227
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -93.084470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.084470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.084470 (E_RNA)
where:
Base-Base interactions energy: -38.520
where: short stacking energy: -36.489
Base-Backbone interact. energy: -0.198
local terms energy: -54.366028
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -9.874
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: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -345.284848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.284848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.284848 (E_RNA)
where:
Base-Base interactions energy: -236.851
where: short stacking energy: -107.044
Base-Backbone interact. energy: -1.629
local terms energy: -106.805436
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -33.696
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: 2, replica: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -334.588873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.588873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.588873 (E_RNA)
where:
Base-Base interactions energy: -227.877
where: short stacking energy: -102.113
Base-Backbone interact. energy: -0.981
local terms energy: -105.730743
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -29.505
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: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -338.532510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.532510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.532510 (E_RNA)
where:
Base-Base interactions energy: -226.580
where: short stacking energy: -100.790
Base-Backbone interact. energy: -0.006
local terms energy: -111.946619
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -30.324
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: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -325.304810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.304810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.304810 (E_RNA)
where:
Base-Base interactions energy: -215.311
where: short stacking energy: -93.224
Base-Backbone interact. energy: 0.535
local terms energy: -110.528307
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -34.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -263.277131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.277131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.277131 (E_RNA)
where:
Base-Base interactions energy: -166.842
where: short stacking energy: -82.219
Base-Backbone interact. energy: -0.012
local terms energy: -96.423428
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -11.994
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: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -250.664320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.664320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.664320 (E_RNA)
where:
Base-Base interactions energy: -151.041
where: short stacking energy: -73.659
Base-Backbone interact. energy: -0.117
local terms energy: -99.506492
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -23.081
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: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -123.959611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.959611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.959611 (E_RNA)
where:
Base-Base interactions energy: -53.694
where: short stacking energy: -38.286
Base-Backbone interact. energy: -0.328
local terms energy: -69.937595
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: 0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -119.476767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.476767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.476767 (E_RNA)
where:
Base-Base interactions energy: -51.656
where: short stacking energy: -51.656
Base-Backbone interact. energy: -0.039
local terms energy: -67.781319
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -10.415
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: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -102.879706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.879706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.879706 (E_RNA)
where:
Base-Base interactions energy: -43.765
where: short stacking energy: -35.322
Base-Backbone interact. energy: -0.203
local terms energy: -58.911207
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -16.805
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: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -90.472536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.472536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.472536 (E_RNA)
where:
Base-Base interactions energy: -25.115
where: short stacking energy: -24.672
Base-Backbone interact. energy: -0.114
local terms energy: -65.243125
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: 3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -343.935390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.935390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.935390 (E_RNA)
where:
Base-Base interactions energy: -225.988
where: short stacking energy: -95.525
Base-Backbone interact. energy: -0.545
local terms energy: -117.401865
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -31.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -339.444219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.444219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.444219 (E_RNA)
where:
Base-Base interactions energy: -231.601
where: short stacking energy: -105.688
Base-Backbone interact. energy: -0.290
local terms energy: -107.553085
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -30.758
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: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -334.664195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.664195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.664195 (E_RNA)
where:
Base-Base interactions energy: -232.430
where: short stacking energy: -100.917
Base-Backbone interact. energy: -0.578
local terms energy: -101.656145
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -31.040
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: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -335.741568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.741568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.741568 (E_RNA)
where:
Base-Base interactions energy: -226.885
where: short stacking energy: -105.810
Base-Backbone interact. energy: 0.261
local terms energy: -109.117481
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -32.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -261.674072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.674072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.674072 (E_RNA)
where:
Base-Base interactions energy: -173.370
where: short stacking energy: -85.768
Base-Backbone interact. energy: 0.015
local terms energy: -88.319186
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -243.055652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.055652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.055652 (E_RNA)
where:
Base-Base interactions energy: -160.267
where: short stacking energy: -68.126
Base-Backbone interact. energy: -0.657
local terms energy: -82.131712
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -19.854
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: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -119.643448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.643448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.643448 (E_RNA)
where:
Base-Base interactions energy: -51.192
where: short stacking energy: -43.921
Base-Backbone interact. energy: -0.267
local terms energy: -68.184251
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -7.889
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: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -105.245730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.245730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.245730 (E_RNA)
where:
Base-Base interactions energy: -33.975
where: short stacking energy: -27.582
Base-Backbone interact. energy: -0.306
local terms energy: -70.963939
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -107.472013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.472013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.472013 (E_RNA)
where:
Base-Base interactions energy: -37.900
where: short stacking energy: -26.115
Base-Backbone interact. energy: -0.305
local terms energy: -69.266526
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -93.854006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.854006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.854006 (E_RNA)
where:
Base-Base interactions energy: -24.297
where: short stacking energy: -23.171
Base-Backbone interact. energy: -0.504
local terms energy: -69.052131
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: 1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -347.632136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.632136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.632136 (E_RNA)
where:
Base-Base interactions energy: -236.271
where: short stacking energy: -105.993
Base-Backbone interact. energy: 0.034
local terms energy: -111.394874
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -29.838
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: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -340.735116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.735116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.735116 (E_RNA)
where:
Base-Base interactions energy: -224.087
where: short stacking energy: -103.745
Base-Backbone interact. energy: -0.008
local terms energy: -116.640442
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -34.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -337.913443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.913443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.913443 (E_RNA)
where:
Base-Base interactions energy: -228.588
where: short stacking energy: -101.535
Base-Backbone interact. energy: -1.596
local terms energy: -107.730202
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -22.976
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -30.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -312.976698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.976698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.976698 (E_RNA)
where:
Base-Base interactions energy: -206.549
where: short stacking energy: -86.928
Base-Backbone interact. energy: -0.655
local terms energy: -105.772728
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -23.722
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -27.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -248.941990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.941990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.941990 (E_RNA)
where:
Base-Base interactions energy: -147.354
where: short stacking energy: -61.437
Base-Backbone interact. energy: -1.143
local terms energy: -100.444875
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -246.084057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.084057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.084057 (E_RNA)
where:
Base-Base interactions energy: -147.301
where: short stacking energy: -76.836
Base-Backbone interact. energy: -0.736
local terms energy: -98.046495
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -119.745600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.745600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.745600 (E_RNA)
where:
Base-Base interactions energy: -41.842
where: short stacking energy: -38.052
Base-Backbone interact. energy: -0.149
local terms energy: -77.755314
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -23.894
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -106.304471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.304471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.304471 (E_RNA)
where:
Base-Base interactions energy: -39.544
where: short stacking energy: -37.972
Base-Backbone interact. energy: -0.240
local terms energy: -66.520773
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -112.279853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.279853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.279853 (E_RNA)
where:
Base-Base interactions energy: -43.826
where: short stacking energy: -40.596
Base-Backbone interact. energy: -0.047
local terms energy: -68.406834
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -102.045301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.045301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.045301 (E_RNA)
where:
Base-Base interactions energy: -36.709
where: short stacking energy: -31.053
Base-Backbone interact. energy: -0.069
local terms energy: -65.268210
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -1.907
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: 428
Temperature: 0.900000
Total energy: -341.932807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.932807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.932807 (E_RNA)
where:
Base-Base interactions energy: -221.495
where: short stacking energy: -90.504
Base-Backbone interact. energy: -0.036
local terms energy: -120.401742
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -32.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -337.234328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.234328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.234328 (E_RNA)
where:
Base-Base interactions energy: -228.197
where: short stacking energy: -95.726
Base-Backbone interact. energy: -0.996
local terms energy: -108.041698
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -30.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -333.247847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.247847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.247847 (E_RNA)
where:
Base-Base interactions energy: -223.734
where: short stacking energy: -94.070
Base-Backbone interact. energy: -0.169
local terms energy: -109.344237
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -21.152
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -31.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -328.592886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.592886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.592886 (E_RNA)
where:
Base-Base interactions energy: -220.460
where: short stacking energy: -93.711
Base-Backbone interact. energy: -0.167
local terms energy: -107.965671
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -31.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -259.674838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.674838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.674838 (E_RNA)
where:
Base-Base interactions energy: -165.553
where: short stacking energy: -75.196
Base-Backbone interact. energy: -0.145
local terms energy: -93.976196
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -238.092031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.092031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.092031 (E_RNA)
where:
Base-Base interactions energy: -141.280
where: short stacking energy: -71.237
Base-Backbone interact. energy: -0.007
local terms energy: -96.805848
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -15.083
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: 7, replica: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -126.131439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.131439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.131439 (E_RNA)
where:
Base-Base interactions energy: -46.734
where: short stacking energy: -44.962
Base-Backbone interact. energy: 0.915
local terms energy: -80.311879
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -14.124
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: 8, replica: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -129.105613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.105613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.105613 (E_RNA)
where:
Base-Base interactions energy: -60.195
where: short stacking energy: -43.553
Base-Backbone interact. energy: -0.093
local terms energy: -68.817295
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -108.118164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.118164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.118164 (E_RNA)
where:
Base-Base interactions energy: -43.905
where: short stacking energy: -43.106
Base-Backbone interact. energy: -1.172
local terms energy: -63.041035
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -7.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -95.376553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.376553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.376553 (E_RNA)
where:
Base-Base interactions energy: -31.350
where: short stacking energy: -29.359
Base-Backbone interact. energy: -0.400
local terms energy: -63.626683
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -1.090
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: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -350.869776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.869776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.869776 (E_RNA)
where:
Base-Base interactions energy: -232.408
where: short stacking energy: -97.508
Base-Backbone interact. energy: -0.014
local terms energy: -118.447172
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -25.464
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -32.092
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: 429
Temperature: 0.950000
Total energy: -340.536294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.536294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.536294 (E_RNA)
where:
Base-Base interactions energy: -224.661
where: short stacking energy: -96.780
Base-Backbone interact. energy: 0.188
local terms energy: -116.062906
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -31.484
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: 1
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -335.619068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.619068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.619068 (E_RNA)
where:
Base-Base interactions energy: -235.682
where: short stacking energy: -105.784
Base-Backbone interact. energy: -0.195
local terms energy: -99.742533
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -29.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -327.184765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.184765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.184765 (E_RNA)
where:
Base-Base interactions energy: -228.893
where: short stacking energy: -99.875
Base-Backbone interact. energy: -0.780
local terms energy: -97.511802
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -23.248
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -30.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -262.136193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.136193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.136193 (E_RNA)
where:
Base-Base interactions energy: -179.068
where: short stacking energy: -73.192
Base-Backbone interact. energy: -0.238
local terms energy: -82.829785
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -13.422
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: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -259.942473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.942473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.942473 (E_RNA)
where:
Base-Base interactions energy: -168.011
where: short stacking energy: -85.316
Base-Backbone interact. energy: -0.378
local terms energy: -91.553817
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -24.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -128.198022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.198022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.198022 (E_RNA)
where:
Base-Base interactions energy: -61.784
where: short stacking energy: -26.356
Base-Backbone interact. energy: 0.323
local terms energy: -66.737391
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: 1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -119.173459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.173459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.173459 (E_RNA)
where:
Base-Base interactions energy: -45.342
where: short stacking energy: -30.457
Base-Backbone interact. energy: 2.051
local terms energy: -75.882153
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -14.163
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: 9, replica: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -95.780663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.780663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.780663 (E_RNA)
where:
Base-Base interactions energy: -38.902
where: short stacking energy: -38.902
Base-Backbone interact. energy: 0.625
local terms energy: -57.504413
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -93.537979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.537979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.537979 (E_RNA)
where:
Base-Base interactions energy: -36.285
where: short stacking energy: -35.034
Base-Backbone interact. energy: -0.211
local terms energy: -57.041365
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -10.170
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: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -351.069725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.069725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.069725 (E_RNA)
where:
Base-Base interactions energy: -240.738
where: short stacking energy: -105.567
Base-Backbone interact. energy: -0.298
local terms energy: -110.033730
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -23.619
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -29.550
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: 430
Temperature: 0.950000
Total energy: -340.980069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.980069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.980069 (E_RNA)
where:
Base-Base interactions energy: -222.148
where: short stacking energy: -98.004
Base-Backbone interact. energy: 0.832
local terms energy: -119.664164
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -31.955
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: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -333.324277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.324277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.324277 (E_RNA)
where:
Base-Base interactions energy: -223.134
where: short stacking energy: -106.132
Base-Backbone interact. energy: -0.006
local terms energy: -110.184529
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -33.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -326.529224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.529224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.529224 (E_RNA)
where:
Base-Base interactions energy: -217.349
where: short stacking energy: -93.652
Base-Backbone interact. energy: -1.735
local terms energy: -107.445440
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -29.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -262.407176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.407176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.407176 (E_RNA)
where:
Base-Base interactions energy: -172.021
where: short stacking energy: -83.275
Base-Backbone interact. energy: -0.516
local terms energy: -89.869483
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -257.714686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.714686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.714686 (E_RNA)
where:
Base-Base interactions energy: -163.889
where: short stacking energy: -73.195
Base-Backbone interact. energy: -0.424
local terms energy: -93.400886
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -22.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -142.882606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.882606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.882606 (E_RNA)
where:
Base-Base interactions energy: -62.218
where: short stacking energy: -58.739
Base-Backbone interact. energy: -1.105
local terms energy: -79.560421
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -11.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -112.432122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.432122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.432122 (E_RNA)
where:
Base-Base interactions energy: -41.663
where: short stacking energy: -41.663
Base-Backbone interact. energy: -0.785
local terms energy: -69.983498
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -109.301554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.301554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.301554 (E_RNA)
where:
Base-Base interactions energy: -34.094
where: short stacking energy: -34.094
Base-Backbone interact. energy: -0.104
local terms energy: -75.103867
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -99.051648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.051648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.051648 (E_RNA)
where:
Base-Base interactions energy: -36.858
where: short stacking energy: -34.460
Base-Backbone interact. energy: -0.056
local terms energy: -62.137544
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -347.112318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.112318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.112318 (E_RNA)
where:
Base-Base interactions energy: -233.913
where: short stacking energy: -103.500
Base-Backbone interact. energy: -1.210
local terms energy: -111.989310
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -22.331
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -30.894
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: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -340.947969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.947969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.947969 (E_RNA)
where:
Base-Base interactions energy: -227.585
where: short stacking energy: -100.458
Base-Backbone interact. energy: -0.339
local terms energy: -113.024729
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -31.854
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: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -331.859967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.859967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.859967 (E_RNA)
where:
Base-Base interactions energy: -223.339
where: short stacking energy: -97.326
Base-Backbone interact. energy: -0.688
local terms energy: -107.832710
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -29.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -271.170132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.170132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.170132 (E_RNA)
where:
Base-Base interactions energy: -176.794
where: short stacking energy: -92.715
Base-Backbone interact. energy: -0.284
local terms energy: -94.092908
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -311.420351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.420351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.420351 (E_RNA)
where:
Base-Base interactions energy: -211.335
where: short stacking energy: -92.904
Base-Backbone interact. energy: -0.139
local terms energy: -99.945858
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -27.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -285.723737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.723737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.723737 (E_RNA)
where:
Base-Base interactions energy: -200.699
where: short stacking energy: -84.761
Base-Backbone interact. energy: -0.909
local terms energy: -84.115948
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -22.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -112.608137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.608137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.608137 (E_RNA)
where:
Base-Base interactions energy: -41.208
where: short stacking energy: -33.355
Base-Backbone interact. energy: -1.014
local terms energy: -70.386933
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -13.269
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: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -127.860919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.860919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.860919 (E_RNA)
where:
Base-Base interactions energy: -53.170
where: short stacking energy: -48.835
Base-Backbone interact. energy: -0.259
local terms energy: -74.431130
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -3.236
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -113.218381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.218381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.218381 (E_RNA)
where:
Base-Base interactions energy: -53.054
where: short stacking energy: -29.161
Base-Backbone interact. energy: -1.626
local terms energy: -58.538864
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -95.435563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.435563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.435563 (E_RNA)
where:
Base-Base interactions energy: -23.587
where: short stacking energy: -23.489
Base-Backbone interact. energy: 0.242
local terms energy: -72.090486
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -344.692494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.692494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.692494 (E_RNA)
where:
Base-Base interactions energy: -223.894
where: short stacking energy: -98.680
Base-Backbone interact. energy: -2.199
local terms energy: -118.599254
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -24.518
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -29.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -340.000820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.000820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.000820 (E_RNA)
where:
Base-Base interactions energy: -222.873
where: short stacking energy: -96.216
Base-Backbone interact. energy: -0.684
local terms energy: -116.443802
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -33.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -331.136487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.136487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.136487 (E_RNA)
where:
Base-Base interactions energy: -220.740
where: short stacking energy: -101.200
Base-Backbone interact. energy: -0.286
local terms energy: -110.110178
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -18.194
tors. eta vs tors. theta energy: -30.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -279.727112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.727112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.727112 (E_RNA)
where:
Base-Base interactions energy: -178.434
where: short stacking energy: -90.506
Base-Backbone interact. energy: 0.999
local terms energy: -102.292402
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -24.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -316.913661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.913661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.913661 (E_RNA)
where:
Base-Base interactions energy: -219.822
where: short stacking energy: -96.831
Base-Backbone interact. energy: -0.145
local terms energy: -96.946172
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -22.394
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -27.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -292.738042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.738042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.738042 (E_RNA)
where:
Base-Base interactions energy: -196.964
where: short stacking energy: -98.119
Base-Backbone interact. energy: 1.415
local terms energy: -97.188865
where:
bonds (distance) C4'-P energy: -23.451
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -26.326
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: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -124.030760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.030760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.030760 (E_RNA)
where:
Base-Base interactions energy: -52.937
where: short stacking energy: -47.969
Base-Backbone interact. energy: 0.853
local terms energy: -71.946694
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -4.374
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: 432
Temperature: 1.250000
Total energy: -109.518358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.518358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.518358 (E_RNA)
where:
Base-Base interactions energy: -47.586
where: short stacking energy: -32.768
Base-Backbone interact. energy: -0.349
local terms energy: -61.583552
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -7.062
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: 2
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -127.989147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.989147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.989147 (E_RNA)
where:
Base-Base interactions energy: -57.668
where: short stacking energy: -51.241
Base-Backbone interact. energy: -1.308
local terms energy: -69.012703
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -94.213064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.213064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.213064 (E_RNA)
where:
Base-Base interactions energy: -36.167
where: short stacking energy: -34.453
Base-Backbone interact. energy: 2.279
local terms energy: -60.324375
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -347.733467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.733467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.733467 (E_RNA)
where:
Base-Base interactions energy: -230.736
where: short stacking energy: -99.418
Base-Backbone interact. energy: -1.206
local terms energy: -115.791314
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -33.688
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: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -344.024536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.024536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.024536 (E_RNA)
where:
Base-Base interactions energy: -230.960
where: short stacking energy: -103.470
Base-Backbone interact. energy: -1.415
local terms energy: -111.649140
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -30.654
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: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -334.388855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.388855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.388855 (E_RNA)
where:
Base-Base interactions energy: -227.478
where: short stacking energy: -105.847
Base-Backbone interact. energy: -1.922
local terms energy: -104.989275
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -34.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -319.315872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.315872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.315872 (E_RNA)
where:
Base-Base interactions energy: -213.263
where: short stacking energy: -94.857
Base-Backbone interact. energy: -1.566
local terms energy: -104.487202
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -28.497
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: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -267.483828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.483828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.483828 (E_RNA)
where:
Base-Base interactions energy: -169.597
where: short stacking energy: -89.135
Base-Backbone interact. energy: 0.658
local terms energy: -98.544463
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -25.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -287.080471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.080471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.080471 (E_RNA)
where:
Base-Base interactions energy: -197.237
where: short stacking energy: -95.272
Base-Backbone interact. energy: 1.451
local terms energy: -91.294391
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -23.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -116.847419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.847419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.847419 (E_RNA)
where:
Base-Base interactions energy: -47.188
where: short stacking energy: -40.757
Base-Backbone interact. energy: -2.288
local terms energy: -67.371828
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -121.425369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.425369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.425369 (E_RNA)
where:
Base-Base interactions energy: -44.157
where: short stacking energy: -32.998
Base-Backbone interact. energy: -0.371
local terms energy: -76.897456
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -3.630
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: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -113.079759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.079759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.079759 (E_RNA)
where:
Base-Base interactions energy: -52.882
where: short stacking energy: -47.758
Base-Backbone interact. energy: 1.440
local terms energy: -61.637251
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -10.252
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: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -116.538505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.538505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.538505 (E_RNA)
where:
Base-Base interactions energy: -49.352
where: short stacking energy: -49.118
Base-Backbone interact. energy: 1.230
local terms energy: -68.416143
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -348.689910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.689910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.689910 (E_RNA)
where:
Base-Base interactions energy: -235.656
where: short stacking energy: -101.419
Base-Backbone interact. energy: -0.239
local terms energy: -112.794893
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -33.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -333.261211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.261211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.261211 (E_RNA)
where:
Base-Base interactions energy: -225.282
where: short stacking energy: -100.048
Base-Backbone interact. energy: -0.767
local terms energy: -107.212000
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -31.238
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: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -329.787156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.787156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.787156 (E_RNA)
where:
Base-Base interactions energy: -219.437
where: short stacking energy: -96.081
Base-Backbone interact. energy: -1.196
local terms energy: -109.154001
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -31.865
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: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -323.467839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.467839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.467839 (E_RNA)
where:
Base-Base interactions energy: -210.489
where: short stacking energy: -95.216
Base-Backbone interact. energy: -0.903
local terms energy: -112.075873
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -20.600
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -30.363
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: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -276.197514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.197514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.197514 (E_RNA)
where:
Base-Base interactions energy: -178.320
where: short stacking energy: -82.924
Base-Backbone interact. energy: -1.481
local terms energy: -96.396737
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -21.087
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -24.828
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: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -263.959189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.959189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.959189 (E_RNA)
where:
Base-Base interactions energy: -166.817
where: short stacking energy: -91.861
Base-Backbone interact. energy: -0.792
local terms energy: -96.349763
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -24.231
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -24.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -152.801636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.801636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.801636 (E_RNA)
where:
Base-Base interactions energy: -77.635
where: short stacking energy: -47.146
Base-Backbone interact. energy: -1.722
local terms energy: -73.444235
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -123.509136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.509136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.509136 (E_RNA)
where:
Base-Base interactions energy: -59.582
where: short stacking energy: -42.834
Base-Backbone interact. energy: 1.315
local terms energy: -65.241748
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -107.430929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.430929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.430929 (E_RNA)
where:
Base-Base interactions energy: -32.761
where: short stacking energy: -32.761
Base-Backbone interact. energy: -0.545
local terms energy: -74.124852
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -15.315
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: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -107.460836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.460836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.460836 (E_RNA)
where:
Base-Base interactions energy: -35.840
where: short stacking energy: -33.652
Base-Backbone interact. energy: -0.144
local terms energy: -71.477037
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -7.046
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: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -347.447941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.447941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.447941 (E_RNA)
where:
Base-Base interactions energy: -236.437
where: short stacking energy: -96.212
Base-Backbone interact. energy: -1.162
local terms energy: -109.848158
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -31.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -336.086009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.086009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.086009 (E_RNA)
where:
Base-Base interactions energy: -227.219
where: short stacking energy: -105.357
Base-Backbone interact. energy: -1.216
local terms energy: -107.650625
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -30.965
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: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -333.515170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.515170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.515170 (E_RNA)
where:
Base-Base interactions energy: -221.943
where: short stacking energy: -96.835
Base-Backbone interact. energy: -1.829
local terms energy: -109.743509
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -31.523
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: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -319.689630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.689630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.689630 (E_RNA)
where:
Base-Base interactions energy: -216.892
where: short stacking energy: -94.111
Base-Backbone interact. energy: -0.153
local terms energy: -102.644083
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -30.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -270.541279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.541279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.541279 (E_RNA)
where:
Base-Base interactions energy: -172.720
where: short stacking energy: -82.536
Base-Backbone interact. energy: -0.042
local terms energy: -97.779158
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -25.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -254.737545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.737545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.737545 (E_RNA)
where:
Base-Base interactions energy: -160.796
where: short stacking energy: -77.327
Base-Backbone interact. energy: -0.656
local terms energy: -93.285204
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -20.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -138.420725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.420725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.420725 (E_RNA)
where:
Base-Base interactions energy: -51.064
where: short stacking energy: -34.493
Base-Backbone interact. energy: -0.582
local terms energy: -86.775547
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -21.574
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -6.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -111.947431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.947431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.947431 (E_RNA)
where:
Base-Base interactions energy: -47.901
where: short stacking energy: -40.236
Base-Backbone interact. energy: 0.757
local terms energy: -64.803426
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -121.449146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.449146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.449146 (E_RNA)
where:
Base-Base interactions energy: -53.403
where: short stacking energy: -38.969
Base-Backbone interact. energy: -0.713
local terms energy: -67.333068
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -8.328
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: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -111.171497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.171497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.171497 (E_RNA)
where:
Base-Base interactions energy: -50.076
where: short stacking energy: -35.664
Base-Backbone interact. energy: 0.365
local terms energy: -61.459846
where:
bonds (distance) C4'-P energy: -22.450
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: 0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -344.857198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.857198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.857198 (E_RNA)
where:
Base-Base interactions energy: -231.860
where: short stacking energy: -101.353
Base-Backbone interact. energy: -0.013
local terms energy: -112.983853
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -22.139
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -29.913
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: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -335.559868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.559868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.559868 (E_RNA)
where:
Base-Base interactions energy: -228.553
where: short stacking energy: -97.807
Base-Backbone interact. energy: -0.528
local terms energy: -106.478480
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -22.880
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -29.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -327.551766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.551766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.551766 (E_RNA)
where:
Base-Base interactions energy: -212.013
where: short stacking energy: -97.134
Base-Backbone interact. energy: -0.281
local terms energy: -115.258442
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -29.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -317.519926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.519926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.519926 (E_RNA)
where:
Base-Base interactions energy: -222.745
where: short stacking energy: -91.466
Base-Backbone interact. energy: -0.858
local terms energy: -93.917143
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -28.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -269.210816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.210816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.210816 (E_RNA)
where:
Base-Base interactions energy: -168.253
where: short stacking energy: -89.167
Base-Backbone interact. energy: -0.694
local terms energy: -100.264204
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -23.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -257.427688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.427688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.427688 (E_RNA)
where:
Base-Base interactions energy: -162.900
where: short stacking energy: -78.910
Base-Backbone interact. energy: -0.828
local terms energy: -93.699513
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -128.763465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.763465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.763465 (E_RNA)
where:
Base-Base interactions energy: -55.018
where: short stacking energy: -48.507
Base-Backbone interact. energy: -0.192
local terms energy: -73.553020
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -9.018
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: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -132.749552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.749552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.749552 (E_RNA)
where:
Base-Base interactions energy: -61.052
where: short stacking energy: -58.276
Base-Backbone interact. energy: 2.078
local terms energy: -73.776076
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -113.312969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.312969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.312969 (E_RNA)
where:
Base-Base interactions energy: -49.639
where: short stacking energy: -31.615
Base-Backbone interact. energy: 0.339
local terms energy: -64.013633
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -97.454023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.454023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.454023 (E_RNA)
where:
Base-Base interactions energy: -30.767
where: short stacking energy: -26.143
Base-Backbone interact. energy: 1.150
local terms energy: -67.836497
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -343.921483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.921483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.921483 (E_RNA)
where:
Base-Base interactions energy: -226.207
where: short stacking energy: -99.529
Base-Backbone interact. energy: -0.628
local terms energy: -117.086706
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -26.956
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -33.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -334.745517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.745517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.745517 (E_RNA)
where:
Base-Base interactions energy: -225.458
where: short stacking energy: -102.514
Base-Backbone interact. energy: -1.244
local terms energy: -108.043172
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -31.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -333.577657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.577657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.577657 (E_RNA)
where:
Base-Base interactions energy: -220.065
where: short stacking energy: -96.498
Base-Backbone interact. energy: -0.452
local terms energy: -113.060054
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -29.756
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: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -316.673886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.673886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.673886 (E_RNA)
where:
Base-Base interactions energy: -204.682
where: short stacking energy: -92.880
Base-Backbone interact. energy: -0.978
local terms energy: -111.014247
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -30.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -252.824811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.824811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.824811 (E_RNA)
where:
Base-Base interactions energy: -165.581
where: short stacking energy: -78.305
Base-Backbone interact. energy: -0.358
local terms energy: -86.885635
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -253.511591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.511591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.511591 (E_RNA)
where:
Base-Base interactions energy: -167.166
where: short stacking energy: -73.898
Base-Backbone interact. energy: -0.444
local terms energy: -85.901651
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -15.071
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: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -134.322325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.322325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.322325 (E_RNA)
where:
Base-Base interactions energy: -51.614
where: short stacking energy: -51.614
Base-Backbone interact. energy: -0.099
local terms energy: -82.609269
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -22.402
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -117.863331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.863331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.863331 (E_RNA)
where:
Base-Base interactions energy: -48.333
where: short stacking energy: -43.602
Base-Backbone interact. energy: 1.553
local terms energy: -71.082919
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -13.858
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: 9, replica: 2
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -107.049360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.049360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.049360 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -29.738
Base-Backbone interact. energy: -0.331
local terms energy: -75.041702
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -107.464573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.464573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.464573 (E_RNA)
where:
Base-Base interactions energy: -39.270
where: short stacking energy: -31.490
Base-Backbone interact. energy: -0.209
local terms energy: -67.985811
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -1.579
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: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -343.543152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.543152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.543152 (E_RNA)
where:
Base-Base interactions energy: -231.303
where: short stacking energy: -105.270
Base-Backbone interact. energy: -0.008
local terms energy: -112.232035
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -25.156
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -31.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -336.540249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.540249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.540249 (E_RNA)
where:
Base-Base interactions energy: -223.366
where: short stacking energy: -97.523
Base-Backbone interact. energy: -0.011
local terms energy: -113.163631
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -32.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -336.623997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.623997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.623997 (E_RNA)
where:
Base-Base interactions energy: -222.099
where: short stacking energy: -98.490
Base-Backbone interact. energy: -0.295
local terms energy: -114.229951
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -32.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -313.861976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.861976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.861976 (E_RNA)
where:
Base-Base interactions energy: -202.312
where: short stacking energy: -92.583
Base-Backbone interact. energy: 0.348
local terms energy: -111.898607
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -30.700
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: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -274.938758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.938758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.938758 (E_RNA)
where:
Base-Base interactions energy: -171.170
where: short stacking energy: -90.944
Base-Backbone interact. energy: -0.437
local terms energy: -103.331331
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -27.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -237.132775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.132775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.132775 (E_RNA)
where:
Base-Base interactions energy: -157.412
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.978
local terms energy: -78.743076
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -12.148
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: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -114.389041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.389041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.389041 (E_RNA)
where:
Base-Base interactions energy: -47.786
where: short stacking energy: -30.521
Base-Backbone interact. energy: -0.199
local terms energy: -66.404203
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: 1.115
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: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -113.885438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.885438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.885438 (E_RNA)
where:
Base-Base interactions energy: -36.693
where: short stacking energy: -32.402
Base-Backbone interact. energy: -0.396
local terms energy: -76.796224
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -15.676
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: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -121.621291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.621291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.621291 (E_RNA)
where:
Base-Base interactions energy: -45.866
where: short stacking energy: -42.990
Base-Backbone interact. energy: -0.346
local terms energy: -75.410131
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -12.344
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: 10, replica: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -95.282940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.282940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.282940 (E_RNA)
where:
Base-Base interactions energy: -30.955
where: short stacking energy: -22.687
Base-Backbone interact. energy: -0.247
local terms energy: -64.081504
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: 3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -347.344018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.344018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.344018 (E_RNA)
where:
Base-Base interactions energy: -229.193
where: short stacking energy: -100.066
Base-Backbone interact. energy: -1.974
local terms energy: -116.176136
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -30.140
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: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -338.873645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.873645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.873645 (E_RNA)
where:
Base-Base interactions energy: -226.245
where: short stacking energy: -95.810
Base-Backbone interact. energy: -1.721
local terms energy: -110.907441
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -23.664
flat angles P-C4'-P energy: -18.441
tors. eta vs tors. theta energy: -30.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -327.144127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.144127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.144127 (E_RNA)
where:
Base-Base interactions energy: -222.421
where: short stacking energy: -93.684
Base-Backbone interact. energy: -0.303
local terms energy: -104.419933
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -30.958
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: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -324.926738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.926738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.926738 (E_RNA)
where:
Base-Base interactions energy: -213.761
where: short stacking energy: -92.665
Base-Backbone interact. energy: -0.681
local terms energy: -110.484674
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -31.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -259.660260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.660260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.660260 (E_RNA)
where:
Base-Base interactions energy: -163.538
where: short stacking energy: -81.481
Base-Backbone interact. energy: -0.010
local terms energy: -96.112015
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -26.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -246.351059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.351059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.351059 (E_RNA)
where:
Base-Base interactions energy: -157.607
where: short stacking energy: -78.844
Base-Backbone interact. energy: -0.015
local terms energy: -88.729115
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -22.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -123.111196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.111196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.111196 (E_RNA)
where:
Base-Base interactions energy: -42.466
where: short stacking energy: -41.420
Base-Backbone interact. energy: -0.176
local terms energy: -80.469985
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -118.501074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.501074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.501074 (E_RNA)
where:
Base-Base interactions energy: -39.429
where: short stacking energy: -39.429
Base-Backbone interact. energy: -0.479
local terms energy: -78.593019
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -112.046987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.046987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.046987 (E_RNA)
where:
Base-Base interactions energy: -34.395
where: short stacking energy: -34.395
Base-Backbone interact. energy: -1.166
local terms energy: -76.485662
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -108.383815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.383815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.383815 (E_RNA)
where:
Base-Base interactions energy: -39.566
where: short stacking energy: -34.691
Base-Backbone interact. energy: -0.284
local terms energy: -68.533965
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -344.993493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.993493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.993493 (E_RNA)
where:
Base-Base interactions energy: -228.373
where: short stacking energy: -103.307
Base-Backbone interact. energy: -0.176
local terms energy: -116.443942
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -33.334
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: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -337.004276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.004276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.004276 (E_RNA)
where:
Base-Base interactions energy: -229.419
where: short stacking energy: -98.684
Base-Backbone interact. energy: -1.788
local terms energy: -105.797405
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -27.520
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: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -338.808386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.808386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.808386 (E_RNA)
where:
Base-Base interactions energy: -224.244
where: short stacking energy: -92.902
Base-Backbone interact. energy: -1.149
local terms energy: -113.415126
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -23.165
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -31.286
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: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -325.520560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.520560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.520560 (E_RNA)
where:
Base-Base interactions energy: -213.387
where: short stacking energy: -83.421
Base-Backbone interact. energy: -0.295
local terms energy: -111.839141
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -24.882
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -29.092
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: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -258.530331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.530331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.530331 (E_RNA)
where:
Base-Base interactions energy: -164.400
where: short stacking energy: -87.786
Base-Backbone interact. energy: -0.308
local terms energy: -93.823117
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -13.892
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: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -259.541922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.541922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.541922 (E_RNA)
where:
Base-Base interactions energy: -170.706
where: short stacking energy: -75.668
Base-Backbone interact. energy: 0.239
local terms energy: -89.075316
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -144.752510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.752510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.752510 (E_RNA)
where:
Base-Base interactions energy: -60.007
where: short stacking energy: -57.495
Base-Backbone interact. energy: -0.414
local terms energy: -84.330863
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -12.465
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: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -119.030921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.030921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.030921 (E_RNA)
where:
Base-Base interactions energy: -50.486
where: short stacking energy: -45.955
Base-Backbone interact. energy: -0.190
local terms energy: -68.355262
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -10.453
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: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -106.259410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.259410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.259410 (E_RNA)
where:
Base-Base interactions energy: -37.538
where: short stacking energy: -35.398
Base-Backbone interact. energy: -0.141
local terms energy: -68.580460
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -103.939840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.939840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.939840 (E_RNA)
where:
Base-Base interactions energy: -28.628
where: short stacking energy: -27.355
Base-Backbone interact. energy: 1.292
local terms energy: -76.604775
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -342.557625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.557625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.557625 (E_RNA)
where:
Base-Base interactions energy: -237.257
where: short stacking energy: -109.754
Base-Backbone interact. energy: -0.040
local terms energy: -105.260140
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -33.127
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: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -335.258923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.258923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.258923 (E_RNA)
where:
Base-Base interactions energy: -227.471
where: short stacking energy: -104.630
Base-Backbone interact. energy: -0.090
local terms energy: -107.698075
where:
bonds (distance) C4'-P energy: -23.747
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -32.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -329.414529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.414529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.414529 (E_RNA)
where:
Base-Base interactions energy: -216.224
where: short stacking energy: -98.861
Base-Backbone interact. energy: -0.441
local terms energy: -112.749713
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -28.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -332.004361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.004361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.004361 (E_RNA)
where:
Base-Base interactions energy: -225.000
where: short stacking energy: -95.449
Base-Backbone interact. energy: -0.485
local terms energy: -106.519338
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -31.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -242.890260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.890260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.890260 (E_RNA)
where:
Base-Base interactions energy: -150.088
where: short stacking energy: -78.815
Base-Backbone interact. energy: -0.627
local terms energy: -92.175119
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -250.741624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.741624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.741624 (E_RNA)
where:
Base-Base interactions energy: -152.829
where: short stacking energy: -76.457
Base-Backbone interact. energy: -0.356
local terms energy: -97.557436
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -119.089597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.089597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.089597 (E_RNA)
where:
Base-Base interactions energy: -49.881
where: short stacking energy: -42.530
Base-Backbone interact. energy: -0.102
local terms energy: -69.106505
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -110.310553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.310553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.310553 (E_RNA)
where:
Base-Base interactions energy: -44.687
where: short stacking energy: -43.106
Base-Backbone interact. energy: -0.203
local terms energy: -65.420068
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -123.023814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.023814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.023814 (E_RNA)
where:
Base-Base interactions energy: -54.395
where: short stacking energy: -39.653
Base-Backbone interact. energy: 0.193
local terms energy: -68.821741
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -104.171752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.171752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.171752 (E_RNA)
where:
Base-Base interactions energy: -37.430
where: short stacking energy: -34.729
Base-Backbone interact. energy: -1.022
local terms energy: -65.719251
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -355.684830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.684830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.684830 (E_RNA)
where:
Base-Base interactions energy: -236.184
where: short stacking energy: -106.511
Base-Backbone interact. energy: -1.011
local terms energy: -118.489900
where:
bonds (distance) C4'-P energy: -22.507
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -34.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -336.575808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.575808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.575808 (E_RNA)
where:
Base-Base interactions energy: -220.761
where: short stacking energy: -102.198
Base-Backbone interact. energy: -0.393
local terms energy: -115.422359
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -24.152
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -30.086
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: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -336.997363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.997363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.997363 (E_RNA)
where:
Base-Base interactions energy: -229.434
where: short stacking energy: -106.820
Base-Backbone interact. energy: -0.436
local terms energy: -107.126457
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -32.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -316.464995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.464995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.464995 (E_RNA)
where:
Base-Base interactions energy: -219.844
where: short stacking energy: -99.158
Base-Backbone interact. energy: -0.330
local terms energy: -96.291226
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -30.464
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: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -259.471001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.471001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.471001 (E_RNA)
where:
Base-Base interactions energy: -163.774
where: short stacking energy: -80.909
Base-Backbone interact. energy: -0.142
local terms energy: -95.555457
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -16.787
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: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -221.568316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.568316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.568316 (E_RNA)
where:
Base-Base interactions energy: -138.147
where: short stacking energy: -71.823
Base-Backbone interact. energy: -1.402
local terms energy: -82.018940
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -17.498
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -108.382854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.382854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.382854 (E_RNA)
where:
Base-Base interactions energy: -40.032
where: short stacking energy: -40.595
Base-Backbone interact. energy: -0.936
local terms energy: -67.414736
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -136.399537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.399537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.399537 (E_RNA)
where:
Base-Base interactions energy: -64.004
where: short stacking energy: -62.768
Base-Backbone interact. energy: -0.099
local terms energy: -72.296707
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -22.565
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -12.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -110.675467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.675467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.675467 (E_RNA)
where:
Base-Base interactions energy: -38.897
where: short stacking energy: -33.872
Base-Backbone interact. energy: 0.109
local terms energy: -71.887332
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -110.612241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.612241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.612241 (E_RNA)
where:
Base-Base interactions energy: -35.079
where: short stacking energy: -24.952
Base-Backbone interact. energy: -0.126
local terms energy: -75.406506
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -350.483167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.483167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.483167 (E_RNA)
where:
Base-Base interactions energy: -236.385
where: short stacking energy: -106.994
Base-Backbone interact. energy: -2.018
local terms energy: -112.079890
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -18.995
tors. eta vs tors. theta energy: -31.123
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: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -338.097332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.097332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.097332 (E_RNA)
where:
Base-Base interactions energy: -227.028
where: short stacking energy: -107.687
Base-Backbone interact. energy: -0.977
local terms energy: -110.092710
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -33.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -328.997663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.997663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.997663 (E_RNA)
where:
Base-Base interactions energy: -216.103
where: short stacking energy: -93.561
Base-Backbone interact. energy: -0.187
local terms energy: -112.707441
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -31.633
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: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -322.951092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.951092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.951092 (E_RNA)
where:
Base-Base interactions energy: -216.695
where: short stacking energy: -102.145
Base-Backbone interact. energy: -1.984
local terms energy: -104.272572
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -33.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -267.718116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.718116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.718116 (E_RNA)
where:
Base-Base interactions energy: -181.591
where: short stacking energy: -83.827
Base-Backbone interact. energy: 1.020
local terms energy: -87.147108
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -22.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -237.014822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.014822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.014822 (E_RNA)
where:
Base-Base interactions energy: -142.396
where: short stacking energy: -72.866
Base-Backbone interact. energy: -0.277
local terms energy: -94.341821
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -133.822457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.822457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.822457 (E_RNA)
where:
Base-Base interactions energy: -61.980
where: short stacking energy: -60.498
Base-Backbone interact. energy: -0.030
local terms energy: -71.812981
where:
bonds (distance) C4'-P energy: -7.725
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -11.036
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: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -123.565235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.565235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.565235 (E_RNA)
where:
Base-Base interactions energy: -51.122
where: short stacking energy: -34.518
Base-Backbone interact. energy: -0.637
local terms energy: -71.805787
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: 1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -122.655280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.655280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.655280 (E_RNA)
where:
Base-Base interactions energy: -74.622
where: short stacking energy: -40.710
Base-Backbone interact. energy: 0.111
local terms energy: -48.144482
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -5.764
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -115.488904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.488904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.488904 (E_RNA)
where:
Base-Base interactions energy: -51.298
where: short stacking energy: -48.268
Base-Backbone interact. energy: -0.252
local terms energy: -63.938860
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -342.866173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.866173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.866173 (E_RNA)
where:
Base-Base interactions energy: -225.453
where: short stacking energy: -103.786
Base-Backbone interact. energy: -1.037
local terms energy: -116.376020
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -33.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -341.142849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.142849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.142849 (E_RNA)
where:
Base-Base interactions energy: -225.305
where: short stacking energy: -102.918
Base-Backbone interact. energy: -0.307
local terms energy: -115.530777
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -32.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -335.025079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.025079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.025079 (E_RNA)
where:
Base-Base interactions energy: -237.049
where: short stacking energy: -101.951
Base-Backbone interact. energy: -0.009
local terms energy: -97.967705
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -30.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -320.572431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.572431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.572431 (E_RNA)
where:
Base-Base interactions energy: -215.814
where: short stacking energy: -93.843
Base-Backbone interact. energy: -0.354
local terms energy: -104.403758
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -26.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -276.616870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.616870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.616870 (E_RNA)
where:
Base-Base interactions energy: -183.766
where: short stacking energy: -95.406
Base-Backbone interact. energy: -0.024
local terms energy: -92.826867
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -27.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -252.064828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.064828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.064828 (E_RNA)
where:
Base-Base interactions energy: -154.468
where: short stacking energy: -81.167
Base-Backbone interact. energy: -0.581
local terms energy: -97.015673
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -21.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -128.033993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.033993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.033993 (E_RNA)
where:
Base-Base interactions energy: -51.315
where: short stacking energy: -46.665
Base-Backbone interact. energy: -0.101
local terms energy: -76.617185
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -6.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -111.037078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.037078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.037078 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -36.626
Base-Backbone interact. energy: -0.237
local terms energy: -70.380967
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -115.570266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.570266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.570266 (E_RNA)
where:
Base-Base interactions energy: -45.158
where: short stacking energy: -42.502
Base-Backbone interact. energy: -0.224
local terms energy: -70.188500
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -109.921537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.921537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.921537 (E_RNA)
where:
Base-Base interactions energy: -44.301
where: short stacking energy: -26.047
Base-Backbone interact. energy: -0.441
local terms energy: -65.179902
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -346.195548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.195548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.195548 (E_RNA)
where:
Base-Base interactions energy: -233.827
where: short stacking energy: -107.538
Base-Backbone interact. energy: 1.162
local terms energy: -113.530605
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -31.420
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: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -350.273648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.273648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.273648 (E_RNA)
where:
Base-Base interactions energy: -240.929
where: short stacking energy: -102.930
Base-Backbone interact. energy: -0.185
local terms energy: -109.159242
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -29.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -334.540836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.540836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.540836 (E_RNA)
where:
Base-Base interactions energy: -227.032
where: short stacking energy: -105.626
Base-Backbone interact. energy: -1.134
local terms energy: -106.374325
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -32.053
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: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -334.209688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.209688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.209688 (E_RNA)
where:
Base-Base interactions energy: -223.000
where: short stacking energy: -97.336
Base-Backbone interact. energy: -1.688
local terms energy: -109.521618
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -33.843
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: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -271.463350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.463350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.463350 (E_RNA)
where:
Base-Base interactions energy: -167.966
where: short stacking energy: -87.611
Base-Backbone interact. energy: -0.216
local terms energy: -103.281401
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -25.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -244.067587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.067587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.067587 (E_RNA)
where:
Base-Base interactions energy: -156.677
where: short stacking energy: -69.264
Base-Backbone interact. energy: -0.313
local terms energy: -87.077349
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -125.300639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.300639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.300639 (E_RNA)
where:
Base-Base interactions energy: -49.266
where: short stacking energy: -41.067
Base-Backbone interact. energy: -0.175
local terms energy: -75.859479
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -110.095908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.095908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.095908 (E_RNA)
where:
Base-Base interactions energy: -44.930
where: short stacking energy: -45.930
Base-Backbone interact. energy: -0.265
local terms energy: -64.901062
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -116.003001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.003001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.003001 (E_RNA)
where:
Base-Base interactions energy: -53.733
where: short stacking energy: -44.150
Base-Backbone interact. energy: -0.316
local terms energy: -61.953706
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -8.814
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: 10, replica: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -104.422281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.422281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.422281 (E_RNA)
where:
Base-Base interactions energy: -48.170
where: short stacking energy: -34.962
Base-Backbone interact. energy: 1.110
local terms energy: -57.362384
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -7.710
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -0.078
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: 1, replica: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -338.936754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.936754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.936754 (E_RNA)
where:
Base-Base interactions energy: -229.802
where: short stacking energy: -109.894
Base-Backbone interact. energy: -0.003
local terms energy: -109.131997
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -32.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -343.001654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.001654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.001654 (E_RNA)
where:
Base-Base interactions energy: -234.775
where: short stacking energy: -103.954
Base-Backbone interact. energy: -0.019
local terms energy: -108.208197
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -22.571
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -29.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -336.050044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.050044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.050044 (E_RNA)
where:
Base-Base interactions energy: -228.870
where: short stacking energy: -100.643
Base-Backbone interact. energy: -0.070
local terms energy: -107.110826
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -22.726
flat angles C4'-P-C4' energy: -23.426
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -30.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -332.295627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.295627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.295627 (E_RNA)
where:
Base-Base interactions energy: -219.429
where: short stacking energy: -102.140
Base-Backbone interact. energy: -0.011
local terms energy: -112.856097
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -25.364
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -30.487
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: 446
Temperature: 1.100000
Total energy: -254.168420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.168420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.168420 (E_RNA)
where:
Base-Base interactions energy: -159.936
where: short stacking energy: -78.421
Base-Backbone interact. energy: -0.024
local terms energy: -94.208601
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -273.245256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.245256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.245256 (E_RNA)
where:
Base-Base interactions energy: -174.590
where: short stacking energy: -88.488
Base-Backbone interact. energy: -0.908
local terms energy: -97.746548
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -22.873
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: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -124.927678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.927678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.927678 (E_RNA)
where:
Base-Base interactions energy: -52.174
where: short stacking energy: -47.667
Base-Backbone interact. energy: 0.031
local terms energy: -72.785309
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -124.502943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.502943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.502943 (E_RNA)
where:
Base-Base interactions energy: -50.701
where: short stacking energy: -42.577
Base-Backbone interact. energy: -0.534
local terms energy: -73.267947
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -107.949446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.949446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.949446 (E_RNA)
where:
Base-Base interactions energy: -44.120
where: short stacking energy: -36.964
Base-Backbone interact. energy: -0.549
local terms energy: -63.280161
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -2.083
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: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -108.538567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.538567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.538567 (E_RNA)
where:
Base-Base interactions energy: -28.469
where: short stacking energy: -27.511
Base-Backbone interact. energy: -0.053
local terms energy: -80.015761
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -345.876695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.876695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.876695 (E_RNA)
where:
Base-Base interactions energy: -232.386
where: short stacking energy: -100.560
Base-Backbone interact. energy: -0.987
local terms energy: -112.503916
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -25.407
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -31.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -338.324738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.324738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.324738 (E_RNA)
where:
Base-Base interactions energy: -223.862
where: short stacking energy: -100.593
Base-Backbone interact. energy: -0.397
local terms energy: -114.065445
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -25.361
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -32.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -330.236846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.236846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.236846 (E_RNA)
where:
Base-Base interactions energy: -225.764
where: short stacking energy: -99.838
Base-Backbone interact. energy: -2.058
local terms energy: -102.414805
where:
bonds (distance) C4'-P energy: -19.889
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -31.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -323.948850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.948850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.948850 (E_RNA)
where:
Base-Base interactions energy: -220.091
where: short stacking energy: -103.422
Base-Backbone interact. energy: -0.297
local terms energy: -103.560989
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -17.944
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -30.153
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: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -266.857536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.857536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.857536 (E_RNA)
where:
Base-Base interactions energy: -176.632
where: short stacking energy: -87.086
Base-Backbone interact. energy: -0.014
local terms energy: -90.211438
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -24.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -263.510471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.510471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.510471 (E_RNA)
where:
Base-Base interactions energy: -161.825
where: short stacking energy: -81.805
Base-Backbone interact. energy: 1.902
local terms energy: -103.587212
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -25.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -132.791141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.791141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.791141 (E_RNA)
where:
Base-Base interactions energy: -56.032
where: short stacking energy: -52.916
Base-Backbone interact. energy: -0.415
local terms energy: -76.344059
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -114.854945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.854945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.854945 (E_RNA)
where:
Base-Base interactions energy: -45.011
where: short stacking energy: -40.727
Base-Backbone interact. energy: -0.392
local terms energy: -69.451119
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -143.863072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.863072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.863072 (E_RNA)
where:
Base-Base interactions energy: -60.117
where: short stacking energy: -58.733
Base-Backbone interact. energy: -1.034
local terms energy: -82.711992
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -8.228
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: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -101.705185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.705185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.705185 (E_RNA)
where:
Base-Base interactions energy: -40.209
where: short stacking energy: -34.192
Base-Backbone interact. energy: -0.773
local terms energy: -60.722664
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -340.528265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.528265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.528265 (E_RNA)
where:
Base-Base interactions energy: -240.157
where: short stacking energy: -100.058
Base-Backbone interact. energy: -0.414
local terms energy: -99.957580
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -26.629
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: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -334.520207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.520207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.520207 (E_RNA)
where:
Base-Base interactions energy: -221.859
where: short stacking energy: -98.439
Base-Backbone interact. energy: -0.181
local terms energy: -112.480409
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -33.536
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: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -332.289027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.289027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.289027 (E_RNA)
where:
Base-Base interactions energy: -225.098
where: short stacking energy: -94.456
Base-Backbone interact. energy: -1.870
local terms energy: -105.320665
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -31.465
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: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -329.618462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.618462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.618462 (E_RNA)
where:
Base-Base interactions energy: -219.728
where: short stacking energy: -99.287
Base-Backbone interact. energy: -0.001
local terms energy: -109.890010
where:
bonds (distance) C4'-P energy: -18.611
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -30.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -266.906631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.906631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.906631 (E_RNA)
where:
Base-Base interactions energy: -170.643
where: short stacking energy: -82.754
Base-Backbone interact. energy: -0.132
local terms energy: -96.131465
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -23.651
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: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -254.474224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.474224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.474224 (E_RNA)
where:
Base-Base interactions energy: -165.736
where: short stacking energy: -76.942
Base-Backbone interact. energy: -0.213
local terms energy: -88.525421
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -118.623817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.623817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.623817 (E_RNA)
where:
Base-Base interactions energy: -42.364
where: short stacking energy: -31.696
Base-Backbone interact. energy: 0.463
local terms energy: -76.723250
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: 1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -117.487113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.487113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.487113 (E_RNA)
where:
Base-Base interactions energy: -39.977
where: short stacking energy: -35.917
Base-Backbone interact. energy: -1.597
local terms energy: -75.913348
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -106.874176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.874176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.874176 (E_RNA)
where:
Base-Base interactions energy: -42.392
where: short stacking energy: -41.159
Base-Backbone interact. energy: 0.265
local terms energy: -64.747561
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -6.659
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: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -100.898585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.898585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.898585 (E_RNA)
where:
Base-Base interactions energy: -44.122
where: short stacking energy: -29.446
Base-Backbone interact. energy: 0.196
local terms energy: -56.972580
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -1.504
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: 449
Temperature: 0.900000
Total energy: -344.033414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.033414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.033414 (E_RNA)
where:
Base-Base interactions energy: -221.476
where: short stacking energy: -103.478
Base-Backbone interact. energy: -0.633
local terms energy: -121.924225
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -25.745
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -33.524
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: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -340.556134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.556134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.556134 (E_RNA)
where:
Base-Base interactions energy: -230.180
where: short stacking energy: -107.200
Base-Backbone interact. energy: -1.781
local terms energy: -108.594784
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -23.071
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -33.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -327.444609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.444609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.444609 (E_RNA)
where:
Base-Base interactions energy: -225.780
where: short stacking energy: -99.527
Base-Backbone interact. energy: -1.155
local terms energy: -100.509874
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -31.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -332.763306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.763306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.763306 (E_RNA)
where:
Base-Base interactions energy: -220.101
where: short stacking energy: -91.084
Base-Backbone interact. energy: -2.366
local terms energy: -110.296993
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -31.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -247.535098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.535098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.535098 (E_RNA)
where:
Base-Base interactions energy: -164.890
where: short stacking energy: -73.649
Base-Backbone interact. energy: -0.161
local terms energy: -82.484315
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -256.162306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.162306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.162306 (E_RNA)
where:
Base-Base interactions energy: -164.222
where: short stacking energy: -84.863
Base-Backbone interact. energy: -0.049
local terms energy: -91.891343
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -24.676
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: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -128.378991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.378991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.378991 (E_RNA)
where:
Base-Base interactions energy: -56.534
where: short stacking energy: -56.534
Base-Backbone interact. energy: 0.528
local terms energy: -72.373244
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -11.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -121.124372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.124372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.124372 (E_RNA)
where:
Base-Base interactions energy: -51.489
where: short stacking energy: -43.985
Base-Backbone interact. energy: -0.383
local terms energy: -69.252456
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -103.854646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.854646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.854646 (E_RNA)
where:
Base-Base interactions energy: -30.351
where: short stacking energy: -29.309
Base-Backbone interact. energy: -0.266
local terms energy: -73.237847
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: 1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -107.524315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.524315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.524315 (E_RNA)
where:
Base-Base interactions energy: -42.496
where: short stacking energy: -33.419
Base-Backbone interact. energy: -1.048
local terms energy: -63.980119
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -353.216320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.216320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.216320 (E_RNA)
where:
Base-Base interactions energy: -228.478
where: short stacking energy: -104.376
Base-Backbone interact. energy: -1.263
local terms energy: -123.475243
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -26.612
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -33.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -333.768699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.768699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.768699 (E_RNA)
where:
Base-Base interactions energy: -223.399
where: short stacking energy: -89.260
Base-Backbone interact. energy: -0.933
local terms energy: -109.436496
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -27.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -338.593622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.593622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.593622 (E_RNA)
where:
Base-Base interactions energy: -225.519
where: short stacking energy: -99.172
Base-Backbone interact. energy: 0.292
local terms energy: -113.366504
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -23.363
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -30.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -320.645273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.645273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.645273 (E_RNA)
where:
Base-Base interactions energy: -210.686
where: short stacking energy: -93.192
Base-Backbone interact. energy: -0.601
local terms energy: -109.358289
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -30.482
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: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -269.022349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.022349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.022349 (E_RNA)
where:
Base-Base interactions energy: -168.542
where: short stacking energy: -86.235
Base-Backbone interact. energy: -0.047
local terms energy: -100.433997
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -29.223
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: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -256.958247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.958247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.958247 (E_RNA)
where:
Base-Base interactions energy: -168.841
where: short stacking energy: -78.827
Base-Backbone interact. energy: 1.005
local terms energy: -89.121961
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -20.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -125.430309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.430309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.430309 (E_RNA)
where:
Base-Base interactions energy: -50.921
where: short stacking energy: -50.483
Base-Backbone interact. energy: -0.230
local terms energy: -74.279863
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -102.320337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.320337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.320337 (E_RNA)
where:
Base-Base interactions energy: -36.317
where: short stacking energy: -32.918
Base-Backbone interact. energy: -0.097
local terms energy: -65.906403
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -0.850
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: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -99.883124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.883124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.883124 (E_RNA)
where:
Base-Base interactions energy: -32.975
where: short stacking energy: -33.075
Base-Backbone interact. energy: -0.100
local terms energy: -66.808337
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -0.982
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: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -99.678125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.678125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.678125 (E_RNA)
where:
Base-Base interactions energy: -40.143
where: short stacking energy: -30.825
Base-Backbone interact. energy: 0.640
local terms energy: -60.175798
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -341.557221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.557221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.557221 (E_RNA)
where:
Base-Base interactions energy: -226.760
where: short stacking energy: -101.381
Base-Backbone interact. energy: -0.608
local terms energy: -114.189639
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -32.723
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: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -337.502386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.502386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.502386 (E_RNA)
where:
Base-Base interactions energy: -222.775
where: short stacking energy: -97.165
Base-Backbone interact. energy: -0.006
local terms energy: -114.721044
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -29.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -338.594182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.594182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.594182 (E_RNA)
where:
Base-Base interactions energy: -222.561
where: short stacking energy: -94.808
Base-Backbone interact. energy: -1.486
local terms energy: -114.546722
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -32.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -279.500009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.500009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.500009 (E_RNA)
where:
Base-Base interactions energy: -181.510
where: short stacking energy: -91.955
Base-Backbone interact. energy: -0.461
local terms energy: -97.528667
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -26.219
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: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -320.984901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.984901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.984901 (E_RNA)
where:
Base-Base interactions energy: -207.805
where: short stacking energy: -94.930
Base-Backbone interact. energy: -0.681
local terms energy: -112.498863
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -30.352
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: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -262.780007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.780007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.780007 (E_RNA)
where:
Base-Base interactions energy: -170.219
where: short stacking energy: -91.279
Base-Backbone interact. energy: 1.086
local terms energy: -93.647320
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -23.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -136.949830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.949830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.949830 (E_RNA)
where:
Base-Base interactions energy: -64.455
where: short stacking energy: -60.729
Base-Backbone interact. energy: -0.057
local terms energy: -72.437345
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -6.145
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: 2
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -112.834020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.834020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.834020 (E_RNA)
where:
Base-Base interactions energy: -41.582
where: short stacking energy: -40.824
Base-Backbone interact. energy: -0.312
local terms energy: -70.940164
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -12.387
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: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -114.875113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.875113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.875113 (E_RNA)
where:
Base-Base interactions energy: -40.705
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.521
local terms energy: -73.648957
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -106.380933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.380933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.380933 (E_RNA)
where:
Base-Base interactions energy: -44.777
where: short stacking energy: -44.777
Base-Backbone interact. energy: -0.723
local terms energy: -60.880707
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -348.588378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.588378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.588378 (E_RNA)
where:
Base-Base interactions energy: -227.783
where: short stacking energy: -96.071
Base-Backbone interact. energy: -2.889
local terms energy: -117.916543
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -32.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -340.882748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.882748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.882748 (E_RNA)
where:
Base-Base interactions energy: -226.345
where: short stacking energy: -99.110
Base-Backbone interact. energy: -0.337
local terms energy: -114.200530
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -32.095
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: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -337.777785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.777785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.777785 (E_RNA)
where:
Base-Base interactions energy: -221.543
where: short stacking energy: -99.312
Base-Backbone interact. energy: -0.102
local terms energy: -116.132826
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -31.212
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: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -266.967880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.967880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.967880 (E_RNA)
where:
Base-Base interactions energy: -174.163
where: short stacking energy: -82.344
Base-Backbone interact. energy: -0.060
local terms energy: -92.744412
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -16.924
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: 5, replica: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -318.375409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.375409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.375409 (E_RNA)
where:
Base-Base interactions energy: -216.860
where: short stacking energy: -95.520
Base-Backbone interact. energy: -0.618
local terms energy: -100.896806
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -26.823
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: 452
Temperature: 1.150000
Total energy: -243.864857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.864857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.864857 (E_RNA)
where:
Base-Base interactions energy: -147.316
where: short stacking energy: -72.452
Base-Backbone interact. energy: -0.186
local terms energy: -96.362298
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -17.357
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: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -118.594629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.594629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.594629 (E_RNA)
where:
Base-Base interactions energy: -45.944
where: short stacking energy: -29.676
Base-Backbone interact. energy: -2.211
local terms energy: -70.439974
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: 2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -113.740155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.740155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.740155 (E_RNA)
where:
Base-Base interactions energy: -57.385
where: short stacking energy: -31.250
Base-Backbone interact. energy: -0.231
local terms energy: -56.124653
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: 2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -103.281832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.281832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.281832 (E_RNA)
where:
Base-Base interactions energy: -36.572
where: short stacking energy: -36.572
Base-Backbone interact. energy: -0.144
local terms energy: -66.565625
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -17.599
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -7.223
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: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -101.099122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.099122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.099122 (E_RNA)
where:
Base-Base interactions energy: -42.477
where: short stacking energy: -28.237
Base-Backbone interact. energy: -1.931
local terms energy: -56.692038
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -8.212
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: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -341.496263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.496263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.496263 (E_RNA)
where:
Base-Base interactions energy: -222.329
where: short stacking energy: -99.457
Base-Backbone interact. energy: -0.669
local terms energy: -118.498018
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -30.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -338.023793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.023793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.023793 (E_RNA)
where:
Base-Base interactions energy: -222.947
where: short stacking energy: -102.660
Base-Backbone interact. energy: -1.301
local terms energy: -113.774945
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -32.765
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: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -339.898957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.898957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.898957 (E_RNA)
where:
Base-Base interactions energy: -228.889
where: short stacking energy: -101.189
Base-Backbone interact. energy: -0.291
local terms energy: -110.718907
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -30.298
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: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -325.837601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.837601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.837601 (E_RNA)
where:
Base-Base interactions energy: -221.890
where: short stacking energy: -101.261
Base-Backbone interact. energy: -1.814
local terms energy: -102.133630
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -31.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -262.231132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.231132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.231132 (E_RNA)
where:
Base-Base interactions energy: -169.770
where: short stacking energy: -85.170
Base-Backbone interact. energy: 1.541
local terms energy: -94.002532
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -253.561551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.561551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.561551 (E_RNA)
where:
Base-Base interactions energy: -168.462
where: short stacking energy: -76.465
Base-Backbone interact. energy: -0.102
local terms energy: -84.997531
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -108.450802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.450802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.450802 (E_RNA)
where:
Base-Base interactions energy: -37.543
where: short stacking energy: -35.587
Base-Backbone interact. energy: -0.380
local terms energy: -70.527306
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -3.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -115.867051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.867051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.867051 (E_RNA)
where:
Base-Base interactions energy: -38.111
where: short stacking energy: -38.111
Base-Backbone interact. energy: -0.080
local terms energy: -77.676272
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -109.389535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.389535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.389535 (E_RNA)
where:
Base-Base interactions energy: -40.458
where: short stacking energy: -36.500
Base-Backbone interact. energy: -0.019
local terms energy: -68.911787
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -107.845402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.845402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.845402 (E_RNA)
where:
Base-Base interactions energy: -53.040
where: short stacking energy: -35.315
Base-Backbone interact. energy: -0.305
local terms energy: -54.500765
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -9.945
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: 1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -349.285713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.285713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.285713 (E_RNA)
where:
Base-Base interactions energy: -242.109
where: short stacking energy: -105.480
Base-Backbone interact. energy: -1.846
local terms energy: -105.330516
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -18.838
tors. eta vs tors. theta energy: -29.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -341.913398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.913398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.913398 (E_RNA)
where:
Base-Base interactions energy: -229.035
where: short stacking energy: -100.017
Base-Backbone interact. energy: -1.499
local terms energy: -111.379579
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -33.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -322.872481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.872481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.872481 (E_RNA)
where:
Base-Base interactions energy: -217.158
where: short stacking energy: -95.706
Base-Backbone interact. energy: -1.550
local terms energy: -104.164157
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -27.478
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: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -323.832390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.832390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.832390 (E_RNA)
where:
Base-Base interactions energy: -219.038
where: short stacking energy: -92.490
Base-Backbone interact. energy: -0.011
local terms energy: -104.783349
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -32.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -265.935682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.935682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.935682 (E_RNA)
where:
Base-Base interactions energy: -170.251
where: short stacking energy: -91.491
Base-Backbone interact. energy: -0.761
local terms energy: -94.924333
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -26.323
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: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -258.410171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.410171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.410171 (E_RNA)
where:
Base-Base interactions energy: -169.862
where: short stacking energy: -85.120
Base-Backbone interact. energy: -0.794
local terms energy: -87.754482
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -130.734261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.734261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.734261 (E_RNA)
where:
Base-Base interactions energy: -60.032
where: short stacking energy: -42.103
Base-Backbone interact. energy: 1.075
local terms energy: -71.777422
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -107.300806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.300806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.300806 (E_RNA)
where:
Base-Base interactions energy: -52.477
where: short stacking energy: -38.852
Base-Backbone interact. energy: -1.004
local terms energy: -53.819374
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -0.873
tors. eta vs tors. theta energy: -0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -122.561286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.561286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.561286 (E_RNA)
where:
Base-Base interactions energy: -52.907
where: short stacking energy: -51.588
Base-Backbone interact. energy: -0.015
local terms energy: -69.639251
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -104.200843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.200843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.200843 (E_RNA)
where:
Base-Base interactions energy: -45.881
where: short stacking energy: -30.423
Base-Backbone interact. energy: 5.896
local terms energy: -64.215543
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -5.490
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: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -341.817560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.817560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.817560 (E_RNA)
where:
Base-Base interactions energy: -227.439
where: short stacking energy: -96.450
Base-Backbone interact. energy: -1.128
local terms energy: -113.250677
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -31.520
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: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -348.411528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.411528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.411528 (E_RNA)
where:
Base-Base interactions energy: -230.547
where: short stacking energy: -106.499
Base-Backbone interact. energy: -0.604
local terms energy: -117.260803
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -33.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -327.424337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.424337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.424337 (E_RNA)
where:
Base-Base interactions energy: -221.271
where: short stacking energy: -101.427
Base-Backbone interact. energy: -0.744
local terms energy: -105.410143
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -26.949
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: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -273.166750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.166750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.166750 (E_RNA)
where:
Base-Base interactions energy: -175.457
where: short stacking energy: -74.378
Base-Backbone interact. energy: -0.225
local terms energy: -97.484937
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -22.145
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: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -321.957769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.957769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.957769 (E_RNA)
where:
Base-Base interactions energy: -215.965
where: short stacking energy: -95.660
Base-Backbone interact. energy: -0.334
local terms energy: -105.658846
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -31.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -260.276992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.276992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.276992 (E_RNA)
where:
Base-Base interactions energy: -170.388
where: short stacking energy: -73.840
Base-Backbone interact. energy: -0.235
local terms energy: -89.653533
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -158.653183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.653183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.653183 (E_RNA)
where:
Base-Base interactions energy: -81.712
where: short stacking energy: -59.375
Base-Backbone interact. energy: -0.333
local terms energy: -76.608464
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -9.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -115.640313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.640313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.640313 (E_RNA)
where:
Base-Base interactions energy: -47.738
where: short stacking energy: -47.116
Base-Backbone interact. energy: 0.485
local terms energy: -68.387717
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -9.534
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -109.681870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.681870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.681870 (E_RNA)
where:
Base-Base interactions energy: -36.838
where: short stacking energy: -35.805
Base-Backbone interact. energy: -0.194
local terms energy: -72.649500
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -5.890
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: 455
Temperature: 1.350000
Total energy: -97.528431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.528431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.528431 (E_RNA)
where:
Base-Base interactions energy: -43.791
where: short stacking energy: -43.182
Base-Backbone interact. energy: -0.362
local terms energy: -53.375762
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -348.226634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.226634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.226634 (E_RNA)
where:
Base-Base interactions energy: -220.226
where: short stacking energy: -96.716
Base-Backbone interact. energy: -2.532
local terms energy: -125.469364
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -25.742
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -34.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -336.312029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.312029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.312029 (E_RNA)
where:
Base-Base interactions energy: -225.877
where: short stacking energy: -104.017
Base-Backbone interact. energy: -0.025
local terms energy: -110.410692
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -30.529
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: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -290.100267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.100267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.100267 (E_RNA)
where:
Base-Base interactions energy: -193.375
where: short stacking energy: -91.337
Base-Backbone interact. energy: -0.634
local terms energy: -96.091350
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -21.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -331.471427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.471427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.471427 (E_RNA)
where:
Base-Base interactions energy: -226.298
where: short stacking energy: -104.741
Base-Backbone interact. energy: -0.077
local terms energy: -105.096802
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -31.284
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: 1
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -321.062767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.062767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.062767 (E_RNA)
where:
Base-Base interactions energy: -216.877
where: short stacking energy: -97.807
Base-Backbone interact. energy: -0.405
local terms energy: -103.781174
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -28.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -264.713897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.713897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.713897 (E_RNA)
where:
Base-Base interactions energy: -172.181
where: short stacking energy: -77.412
Base-Backbone interact. energy: -0.067
local terms energy: -92.466202
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -158.074477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.074477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.074477 (E_RNA)
where:
Base-Base interactions energy: -81.175
where: short stacking energy: -52.496
Base-Backbone interact. energy: -1.337
local terms energy: -75.562562
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -11.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -120.167569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.167569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.167569 (E_RNA)
where:
Base-Base interactions energy: -51.305
where: short stacking energy: -51.305
Base-Backbone interact. energy: 1.404
local terms energy: -70.266514
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -105.915599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.915599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.915599 (E_RNA)
where:
Base-Base interactions energy: -40.085
where: short stacking energy: -34.234
Base-Backbone interact. energy: -0.472
local terms energy: -65.358718
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: 2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -98.845398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.845398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.845398 (E_RNA)
where:
Base-Base interactions energy: -37.132
where: short stacking energy: -35.595
Base-Backbone interact. energy: -0.739
local terms energy: -60.974563
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: 0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -343.930128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.930128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.930128 (E_RNA)
where:
Base-Base interactions energy: -232.228
where: short stacking energy: -100.920
Base-Backbone interact. energy: -1.351
local terms energy: -110.350732
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -18.557
tors. eta vs tors. theta energy: -31.836
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: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -335.731326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.731326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.731326 (E_RNA)
where:
Base-Base interactions energy: -225.631
where: short stacking energy: -99.764
Base-Backbone interact. energy: -0.365
local terms energy: -109.735357
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -34.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -295.918415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.918415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.918415 (E_RNA)
where:
Base-Base interactions energy: -187.654
where: short stacking energy: -97.990
Base-Backbone interact. energy: -1.640
local terms energy: -106.623712
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -29.852
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: 4, replica: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -317.591733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.591733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.591733 (E_RNA)
where:
Base-Base interactions energy: -212.486
where: short stacking energy: -99.099
Base-Backbone interact. energy: -0.877
local terms energy: -104.228675
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -28.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -315.210862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.210862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.210862 (E_RNA)
where:
Base-Base interactions energy: -218.572
where: short stacking energy: -102.659
Base-Backbone interact. energy: -0.374
local terms energy: -96.265383
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -32.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -256.873786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.873786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.873786 (E_RNA)
where:
Base-Base interactions energy: -163.070
where: short stacking energy: -79.669
Base-Backbone interact. energy: -0.171
local terms energy: -93.632793
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -130.332680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.332680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.332680 (E_RNA)
where:
Base-Base interactions energy: -52.941
where: short stacking energy: -29.589
Base-Backbone interact. energy: -0.958
local terms energy: -76.433993
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -128.335874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.335874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.335874 (E_RNA)
where:
Base-Base interactions energy: -42.969
where: short stacking energy: -42.969
Base-Backbone interact. energy: -0.129
local terms energy: -85.237619
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -108.831920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.831920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.831920 (E_RNA)
where:
Base-Base interactions energy: -43.052
where: short stacking energy: -34.646
Base-Backbone interact. energy: -0.288
local terms energy: -65.492058
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -0.356
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: 457
Temperature: 1.350000
Total energy: -120.538184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.538184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.538184 (E_RNA)
where:
Base-Base interactions energy: -48.462
where: short stacking energy: -27.235
Base-Backbone interact. energy: 0.189
local terms energy: -72.265737
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -20.956
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -14.281
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: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -348.886324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.886324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.886324 (E_RNA)
where:
Base-Base interactions energy: -239.666
where: short stacking energy: -103.487
Base-Backbone interact. energy: -2.489
local terms energy: -106.730652
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -31.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -345.797740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.797740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.797740 (E_RNA)
where:
Base-Base interactions energy: -232.176
where: short stacking energy: -103.194
Base-Backbone interact. energy: -1.273
local terms energy: -112.347946
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -30.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -333.788874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.788874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.788874 (E_RNA)
where:
Base-Base interactions energy: -222.640
where: short stacking energy: -100.322
Base-Backbone interact. energy: -0.740
local terms energy: -110.408572
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -24.527
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -32.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -275.601024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.601024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.601024 (E_RNA)
where:
Base-Base interactions energy: -181.437
where: short stacking energy: -90.953
Base-Backbone interact. energy: -0.055
local terms energy: -94.109495
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -24.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -321.027927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.027927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.027927 (E_RNA)
where:
Base-Base interactions energy: -213.978
where: short stacking energy: -94.172
Base-Backbone interact. energy: -0.052
local terms energy: -106.998067
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -33.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -254.091716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.091716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.091716 (E_RNA)
where:
Base-Base interactions energy: -158.367
where: short stacking energy: -77.195
Base-Backbone interact. energy: -0.925
local terms energy: -94.800123
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -23.325
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -128.394443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.394443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.394443 (E_RNA)
where:
Base-Base interactions energy: -54.425
where: short stacking energy: -40.731
Base-Backbone interact. energy: -0.797
local terms energy: -73.172075
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -118.935549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.935549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.935549 (E_RNA)
where:
Base-Base interactions energy: -40.830
where: short stacking energy: -39.865
Base-Backbone interact. energy: 0.822
local terms energy: -78.927339
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -120.704391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.704391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.704391 (E_RNA)
where:
Base-Base interactions energy: -45.683
where: short stacking energy: -36.601
Base-Backbone interact. energy: 0.625
local terms energy: -75.646059
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -7.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -105.510301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.510301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.510301 (E_RNA)
where:
Base-Base interactions energy: -40.503
where: short stacking energy: -24.407
Base-Backbone interact. energy: -1.098
local terms energy: -63.908952
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: 1.426
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: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -342.977843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.977843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.977843 (E_RNA)
where:
Base-Base interactions energy: -230.332
where: short stacking energy: -99.477
Base-Backbone interact. energy: -3.172
local terms energy: -109.474199
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -16.497
tors. eta vs tors. theta energy: -27.579
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: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -331.212680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.212680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.212680 (E_RNA)
where:
Base-Base interactions energy: -221.420
where: short stacking energy: -98.391
Base-Backbone interact. energy: -2.486
local terms energy: -107.306892
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -29.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -331.145488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.145488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.145488 (E_RNA)
where:
Base-Base interactions energy: -218.394
where: short stacking energy: -97.107
Base-Backbone interact. energy: -1.769
local terms energy: -110.982756
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -32.493
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: 459
Temperature: 1.050000
Total energy: -319.348186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.348186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.348186 (E_RNA)
where:
Base-Base interactions energy: -212.253
where: short stacking energy: -91.001
Base-Backbone interact. energy: -0.479
local terms energy: -106.615368
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -33.273
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: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -279.325457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.325457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.325457 (E_RNA)
where:
Base-Base interactions energy: -172.412
where: short stacking energy: -91.411
Base-Backbone interact. energy: -0.185
local terms energy: -106.727908
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -21.995
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -24.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -260.836504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.836504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.836504 (E_RNA)
where:
Base-Base interactions energy: -156.762
where: short stacking energy: -82.771
Base-Backbone interact. energy: -0.968
local terms energy: -103.107082
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -24.278
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -18.244
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: 7, replica: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -123.512436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.512436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.512436 (E_RNA)
where:
Base-Base interactions energy: -53.480
where: short stacking energy: -43.059
Base-Backbone interact. energy: -0.379
local terms energy: -69.652794
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -14.301
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: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -107.990076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.990076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.990076 (E_RNA)
where:
Base-Base interactions energy: -42.857
where: short stacking energy: -40.335
Base-Backbone interact. energy: -0.996
local terms energy: -64.136225
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: 1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -107.190680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.190680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.190680 (E_RNA)
where:
Base-Base interactions energy: -42.872
where: short stacking energy: -31.813
Base-Backbone interact. energy: -0.310
local terms energy: -64.008809
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -10.851
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: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -91.937212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.937212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.937212 (E_RNA)
where:
Base-Base interactions energy: -37.296
where: short stacking energy: -31.021
Base-Backbone interact. energy: -0.177
local terms energy: -54.463625
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: 9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -345.516606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.516606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.516606 (E_RNA)
where:
Base-Base interactions energy: -234.558
where: short stacking energy: -95.942
Base-Backbone interact. energy: -1.186
local terms energy: -109.773034
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -16.659
tors. eta vs tors. theta energy: -29.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -338.848989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.848989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.848989 (E_RNA)
where:
Base-Base interactions energy: -224.728
where: short stacking energy: -97.759
Base-Backbone interact. energy: -1.215
local terms energy: -112.905751
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -32.545
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: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -331.493369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.493369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.493369 (E_RNA)
where:
Base-Base interactions energy: -224.621
where: short stacking energy: -99.639
Base-Backbone interact. energy: -2.035
local terms energy: -104.837321
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -31.935
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: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -331.912786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.912786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.912786 (E_RNA)
where:
Base-Base interactions energy: -215.133
where: short stacking energy: -101.442
Base-Backbone interact. energy: -1.113
local terms energy: -115.666916
where:
bonds (distance) C4'-P energy: -25.319
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -24.501
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -30.775
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: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -266.275255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.275255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.275255 (E_RNA)
where:
Base-Base interactions energy: -168.467
where: short stacking energy: -86.272
Base-Backbone interact. energy: -0.280
local terms energy: -97.528682
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -23.235
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: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -249.347263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.347263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.347263 (E_RNA)
where:
Base-Base interactions energy: -157.926
where: short stacking energy: -69.854
Base-Backbone interact. energy: -0.249
local terms energy: -91.172331
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -127.356618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.356618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.356618 (E_RNA)
where:
Base-Base interactions energy: -46.730
where: short stacking energy: -47.440
Base-Backbone interact. energy: -1.533
local terms energy: -79.093583
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -16.083
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: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -131.428854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.428854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.428854 (E_RNA)
where:
Base-Base interactions energy: -61.525
where: short stacking energy: -53.358
Base-Backbone interact. energy: 0.560
local terms energy: -70.463282
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -12.797
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: 9, replica: 2
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -118.014761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.014761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.014761 (E_RNA)
where:
Base-Base interactions energy: -43.411
where: short stacking energy: -36.951
Base-Backbone interact. energy: -0.333
local terms energy: -74.270969
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -100.215718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.215718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.215718 (E_RNA)
where:
Base-Base interactions energy: -39.728
where: short stacking energy: -38.839
Base-Backbone interact. energy: 0.139
local terms energy: -60.626429
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -349.352378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.352378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.352378 (E_RNA)
where:
Base-Base interactions energy: -233.941
where: short stacking energy: -103.167
Base-Backbone interact. energy: -2.024
local terms energy: -113.387212
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -25.957
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -34.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -333.754882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.754882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.754882 (E_RNA)
where:
Base-Base interactions energy: -229.368
where: short stacking energy: -100.923
Base-Backbone interact. energy: -0.002
local terms energy: -104.384591
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -31.105
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: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -327.163970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.163970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.163970 (E_RNA)
where:
Base-Base interactions energy: -218.509
where: short stacking energy: -88.358
Base-Backbone interact. energy: -1.028
local terms energy: -107.626975
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -26.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -327.761398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.761398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.761398 (E_RNA)
where:
Base-Base interactions energy: -224.877
where: short stacking energy: -102.666
Base-Backbone interact. energy: -0.648
local terms energy: -102.236696
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -27.976
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: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -264.640230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.640230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.640230 (E_RNA)
where:
Base-Base interactions energy: -174.066
where: short stacking energy: -76.864
Base-Backbone interact. energy: 1.267
local terms energy: -91.841803
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -13.607
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: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -248.148263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.148263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.148263 (E_RNA)
where:
Base-Base interactions energy: -153.341
where: short stacking energy: -72.865
Base-Backbone interact. energy: -1.026
local terms energy: -93.781864
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -24.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -142.679157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.679157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.679157 (E_RNA)
where:
Base-Base interactions energy: -62.854
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.077
local terms energy: -79.748291
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -132.035763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.035763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.035763 (E_RNA)
where:
Base-Base interactions energy: -55.351
where: short stacking energy: -53.420
Base-Backbone interact. energy: 0.077
local terms energy: -76.761889
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -105.095243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.095243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.095243 (E_RNA)
where:
Base-Base interactions energy: -44.599
where: short stacking energy: -43.163
Base-Backbone interact. energy: -0.145
local terms energy: -60.351891
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -4.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -116.012645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.012645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.012645 (E_RNA)
where:
Base-Base interactions energy: -44.760
where: short stacking energy: -44.760
Base-Backbone interact. energy: -0.094
local terms energy: -71.158179
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -10.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -356.248311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.248311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.248311 (E_RNA)
where:
Base-Base interactions energy: -233.576
where: short stacking energy: -106.560
Base-Backbone interact. energy: -2.140
local terms energy: -120.532075
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -35.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -333.396818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.396818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.396818 (E_RNA)
where:
Base-Base interactions energy: -227.599
where: short stacking energy: -98.424
Base-Backbone interact. energy: -1.465
local terms energy: -104.332667
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -29.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -330.737204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.737204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.737204 (E_RNA)
where:
Base-Base interactions energy: -213.898
where: short stacking energy: -93.866
Base-Backbone interact. energy: -2.150
local terms energy: -114.689536
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -30.601
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: 10
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -330.984813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.984813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.984813 (E_RNA)
where:
Base-Base interactions energy: -222.081
where: short stacking energy: -96.650
Base-Backbone interact. energy: -0.592
local terms energy: -108.312092
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -32.220
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: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -254.567393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.567393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.567393 (E_RNA)
where:
Base-Base interactions energy: -168.421
where: short stacking energy: -75.186
Base-Backbone interact. energy: 2.550
local terms energy: -88.696232
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -15.173
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: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -257.599541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.599541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.599541 (E_RNA)
where:
Base-Base interactions energy: -164.741
where: short stacking energy: -85.144
Base-Backbone interact. energy: -0.257
local terms energy: -92.601545
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -23.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -135.746751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.746751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.746751 (E_RNA)
where:
Base-Base interactions energy: -47.222
where: short stacking energy: -42.380
Base-Backbone interact. energy: -1.394
local terms energy: -87.130328
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -23.816
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -9.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -117.088175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.088175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.088175 (E_RNA)
where:
Base-Base interactions energy: -45.571
where: short stacking energy: -45.571
Base-Backbone interact. energy: -0.333
local terms energy: -71.184259
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -115.694938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.694938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.694938 (E_RNA)
where:
Base-Base interactions energy: -42.621
where: short stacking energy: -37.701
Base-Backbone interact. energy: -0.316
local terms energy: -72.757792
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -104.250712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.250712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.250712 (E_RNA)
where:
Base-Base interactions energy: -38.326
where: short stacking energy: -36.846
Base-Backbone interact. energy: -0.471
local terms energy: -65.454331
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -3.496
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: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -346.816156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.816156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.816156 (E_RNA)
where:
Base-Base interactions energy: -230.322
where: short stacking energy: -97.449
Base-Backbone interact. energy: -0.473
local terms energy: -116.021209
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -22.029
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -30.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -337.767715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.767715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.767715 (E_RNA)
where:
Base-Base interactions energy: -232.264
where: short stacking energy: -93.624
Base-Backbone interact. energy: -0.565
local terms energy: -104.938098
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -30.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -327.262376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.262376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.262376 (E_RNA)
where:
Base-Base interactions energy: -221.649
where: short stacking energy: -98.406
Base-Backbone interact. energy: -0.065
local terms energy: -105.547839
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -30.371
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: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -322.734785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.734785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.734785 (E_RNA)
where:
Base-Base interactions energy: -225.645
where: short stacking energy: -97.863
Base-Backbone interact. energy: -0.556
local terms energy: -96.533838
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -24.933
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -28.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -256.854106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.854106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.854106 (E_RNA)
where:
Base-Base interactions energy: -159.310
where: short stacking energy: -70.089
Base-Backbone interact. energy: -1.376
local terms energy: -96.167766
where:
bonds (distance) C4'-P energy: -23.881
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -14.744
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: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -260.054187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.054187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.054187 (E_RNA)
where:
Base-Base interactions energy: -169.305
where: short stacking energy: -86.560
Base-Backbone interact. energy: -0.697
local terms energy: -90.051982
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -112.683944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.683944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.683944 (E_RNA)
where:
Base-Base interactions energy: -44.815
where: short stacking energy: -42.015
Base-Backbone interact. energy: -0.222
local terms energy: -67.647023
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -117.539618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.539618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.539618 (E_RNA)
where:
Base-Base interactions energy: -47.716
where: short stacking energy: -41.686
Base-Backbone interact. energy: -1.286
local terms energy: -68.537107
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -11.979
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: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -117.547076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.547076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.547076 (E_RNA)
where:
Base-Base interactions energy: -49.584
where: short stacking energy: -49.552
Base-Backbone interact. energy: 2.365
local terms energy: -70.328115
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -8.753
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: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -109.089593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.089593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.089593 (E_RNA)
where:
Base-Base interactions energy: -46.962
where: short stacking energy: -39.798
Base-Backbone interact. energy: -0.114
local terms energy: -62.013987
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: 2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -341.903330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.903330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.903330 (E_RNA)
where:
Base-Base interactions energy: -228.747
where: short stacking energy: -102.809
Base-Backbone interact. energy: -1.158
local terms energy: -111.998406
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -31.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -331.418482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.418482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.418482 (E_RNA)
where:
Base-Base interactions energy: -220.232
where: short stacking energy: -97.916
Base-Backbone interact. energy: -0.056
local terms energy: -111.130418
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -27.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -338.427010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.427010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.427010 (E_RNA)
where:
Base-Base interactions energy: -227.693
where: short stacking energy: -104.657
Base-Backbone interact. energy: -0.047
local terms energy: -110.686938
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -22.143
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -31.268
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: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -322.484914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.484914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.484914 (E_RNA)
where:
Base-Base interactions energy: -219.219
where: short stacking energy: -99.065
Base-Backbone interact. energy: -0.487
local terms energy: -102.779852
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -31.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -271.124080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.124080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.124080 (E_RNA)
where:
Base-Base interactions energy: -171.478
where: short stacking energy: -84.671
Base-Backbone interact. energy: -0.357
local terms energy: -99.289784
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -23.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -257.602188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.602188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.602188 (E_RNA)
where:
Base-Base interactions energy: -157.565
where: short stacking energy: -82.646
Base-Backbone interact. energy: -0.196
local terms energy: -99.840945
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -22.027
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: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -122.353308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.353308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.353308 (E_RNA)
where:
Base-Base interactions energy: -37.309
where: short stacking energy: -37.309
Base-Backbone interact. energy: -0.087
local terms energy: -84.957475
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -25.122
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -118.126758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.126758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.126758 (E_RNA)
where:
Base-Base interactions energy: -40.587
where: short stacking energy: -39.960
Base-Backbone interact. energy: -0.146
local terms energy: -77.393434
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -9.078
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: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -110.342967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.342967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.342967 (E_RNA)
where:
Base-Base interactions energy: -42.001
where: short stacking energy: -34.814
Base-Backbone interact. energy: -0.301
local terms energy: -68.041246
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -102.725481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.725481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.725481 (E_RNA)
where:
Base-Base interactions energy: -39.170
where: short stacking energy: -33.106
Base-Backbone interact. energy: -0.591
local terms energy: -62.963738
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -20.361
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -341.185671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.185671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.185671 (E_RNA)
where:
Base-Base interactions energy: -228.495
where: short stacking energy: -102.613
Base-Backbone interact. energy: -1.818
local terms energy: -110.873174
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -24.999
flat angles C4'-P-C4' energy: -20.427
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -31.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -334.797245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.797245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.797245 (E_RNA)
where:
Base-Base interactions energy: -224.563
where: short stacking energy: -96.165
Base-Backbone interact. energy: -0.027
local terms energy: -110.206501
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -28.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -330.876241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.876241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.876241 (E_RNA)
where:
Base-Base interactions energy: -219.384
where: short stacking energy: -100.709
Base-Backbone interact. energy: -0.159
local terms energy: -111.333452
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -32.684
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: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -319.406409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.406409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.406409 (E_RNA)
where:
Base-Base interactions energy: -218.353
where: short stacking energy: -98.022
Base-Backbone interact. energy: -1.083
local terms energy: -99.970502
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -34.473
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: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -261.364314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.364314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.364314 (E_RNA)
where:
Base-Base interactions energy: -166.401
where: short stacking energy: -84.967
Base-Backbone interact. energy: -0.057
local terms energy: -94.906127
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -23.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -245.125308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.125308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.125308 (E_RNA)
where:
Base-Base interactions energy: -162.259
where: short stacking energy: -80.841
Base-Backbone interact. energy: -0.931
local terms energy: -81.934822
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -114.621781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.621781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.621781 (E_RNA)
where:
Base-Base interactions energy: -45.917
where: short stacking energy: -39.564
Base-Backbone interact. energy: -0.511
local terms energy: -68.193908
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -111.441589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.441589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.441589 (E_RNA)
where:
Base-Base interactions energy: -46.899
where: short stacking energy: -46.899
Base-Backbone interact. energy: -0.545
local terms energy: -63.997898
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: 0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -117.219331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.219331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.219331 (E_RNA)
where:
Base-Base interactions energy: -50.261
where: short stacking energy: -40.630
Base-Backbone interact. energy: -0.287
local terms energy: -66.670868
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -113.505843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.505843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.505843 (E_RNA)
where:
Base-Base interactions energy: -46.936
where: short stacking energy: -46.936
Base-Backbone interact. energy: -0.427
local terms energy: -66.142159
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -347.542976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.542976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.542976 (E_RNA)
where:
Base-Base interactions energy: -230.743
where: short stacking energy: -102.761
Base-Backbone interact. energy: -2.581
local terms energy: -114.219675
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -35.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -317.617139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.617139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.617139 (E_RNA)
where:
Base-Base interactions energy: -217.027
where: short stacking energy: -95.827
Base-Backbone interact. energy: -0.900
local terms energy: -99.690151
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -326.823391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.823391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.823391 (E_RNA)
where:
Base-Base interactions energy: -218.037
where: short stacking energy: -99.941
Base-Backbone interact. energy: -0.962
local terms energy: -107.823907
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -29.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -324.588302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.588302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.588302 (E_RNA)
where:
Base-Base interactions energy: -219.702
where: short stacking energy: -100.993
Base-Backbone interact. energy: -0.403
local terms energy: -104.482916
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -32.947
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: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -269.081151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.081151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.081151 (E_RNA)
where:
Base-Base interactions energy: -166.335
where: short stacking energy: -87.671
Base-Backbone interact. energy: -0.819
local terms energy: -101.926961
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -27.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -249.997937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.997937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.997937 (E_RNA)
where:
Base-Base interactions energy: -157.001
where: short stacking energy: -79.415
Base-Backbone interact. energy: -0.181
local terms energy: -92.816224
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -23.020
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: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -127.984090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.984090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.984090 (E_RNA)
where:
Base-Base interactions energy: -55.606
where: short stacking energy: -38.433
Base-Backbone interact. energy: -0.517
local terms energy: -71.861022
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -112.464333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.464333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.464333 (E_RNA)
where:
Base-Base interactions energy: -46.759
where: short stacking energy: -39.932
Base-Backbone interact. energy: 0.452
local terms energy: -66.158004
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -114.319203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.319203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.319203 (E_RNA)
where:
Base-Base interactions energy: -51.770
where: short stacking energy: -27.783
Base-Backbone interact. energy: -0.748
local terms energy: -61.800618
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -2.173
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: 466
Temperature: 1.350000
Total energy: -108.527286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.527286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.527286 (E_RNA)
where:
Base-Base interactions energy: -40.748
where: short stacking energy: -31.187
Base-Backbone interact. energy: -0.100
local terms energy: -67.679638
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -351.068493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.068493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.068493 (E_RNA)
where:
Base-Base interactions energy: -235.750
where: short stacking energy: -109.474
Base-Backbone interact. energy: -2.703
local terms energy: -112.614746
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -35.579
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: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -323.221158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.221158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.221158 (E_RNA)
where:
Base-Base interactions energy: -213.039
where: short stacking energy: -91.894
Base-Backbone interact. energy: -1.604
local terms energy: -108.578625
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -22.770
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -28.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -336.822348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.822348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.822348 (E_RNA)
where:
Base-Base interactions energy: -225.444
where: short stacking energy: -94.543
Base-Backbone interact. energy: -1.057
local terms energy: -110.320429
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -29.398
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: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -326.892869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.892869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.892869 (E_RNA)
where:
Base-Base interactions energy: -216.900
where: short stacking energy: -101.407
Base-Backbone interact. energy: -0.557
local terms energy: -109.436361
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -28.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -267.222465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.222465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.222465 (E_RNA)
where:
Base-Base interactions energy: -172.837
where: short stacking energy: -91.086
Base-Backbone interact. energy: 1.369
local terms energy: -95.754701
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -21.246
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: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -261.728027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.728027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.728027 (E_RNA)
where:
Base-Base interactions energy: -162.636
where: short stacking energy: -79.305
Base-Backbone interact. energy: -0.564
local terms energy: -98.527739
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -23.309
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: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -166.388386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.388386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.388386 (E_RNA)
where:
Base-Base interactions energy: -93.343
where: short stacking energy: -54.067
Base-Backbone interact. energy: -0.126
local terms energy: -72.919747
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -9.162
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: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -134.168461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.168461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.168461 (E_RNA)
where:
Base-Base interactions energy: -75.090
where: short stacking energy: -45.201
Base-Backbone interact. energy: -0.424
local terms energy: -58.653785
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -4.791
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: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -104.981972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.981972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.981972 (E_RNA)
where:
Base-Base interactions energy: -41.452
where: short stacking energy: -26.149
Base-Backbone interact. energy: -0.626
local terms energy: -62.903369
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: 2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -106.925504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.925504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.925504 (E_RNA)
where:
Base-Base interactions energy: -43.356
where: short stacking energy: -31.057
Base-Backbone interact. energy: -0.817
local terms energy: -62.752231
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -7.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -343.064581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.064581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.064581 (E_RNA)
where:
Base-Base interactions energy: -220.349
where: short stacking energy: -97.650
Base-Backbone interact. energy: -2.003
local terms energy: -120.711712
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -32.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -334.073367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.073367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.073367 (E_RNA)
where:
Base-Base interactions energy: -226.158
where: short stacking energy: -103.590
Base-Backbone interact. energy: -1.077
local terms energy: -106.838631
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -31.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -335.586369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.586369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.586369 (E_RNA)
where:
Base-Base interactions energy: -221.780
where: short stacking energy: -103.450
Base-Backbone interact. energy: -2.160
local terms energy: -111.647265
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -18.577
tors. eta vs tors. theta energy: -32.995
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: 468
Temperature: 1.050000
Total energy: -334.199855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.199855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.199855 (E_RNA)
where:
Base-Base interactions energy: -216.450
where: short stacking energy: -97.542
Base-Backbone interact. energy: -0.276
local terms energy: -117.473947
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -30.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -269.138357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.138357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.138357 (E_RNA)
where:
Base-Base interactions energy: -170.720
where: short stacking energy: -84.216
Base-Backbone interact. energy: -0.354
local terms energy: -98.064580
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -247.410716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.410716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.410716 (E_RNA)
where:
Base-Base interactions energy: -167.088
where: short stacking energy: -75.965
Base-Backbone interact. energy: 0.139
local terms energy: -80.461981
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -18.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -224.815348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.815348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.815348 (E_RNA)
where:
Base-Base interactions energy: -145.828
where: short stacking energy: -60.886
Base-Backbone interact. energy: -1.358
local terms energy: -77.629496
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -109.990194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.990194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.990194 (E_RNA)
where:
Base-Base interactions energy: -43.770
where: short stacking energy: -27.954
Base-Backbone interact. energy: 1.682
local terms energy: -67.902201
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: 3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -100.851569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.851569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.851569 (E_RNA)
where:
Base-Base interactions energy: -37.160
where: short stacking energy: -36.283
Base-Backbone interact. energy: -1.426
local terms energy: -62.265744
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -123.792927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.792927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.792927 (E_RNA)
where:
Base-Base interactions energy: -61.318
where: short stacking energy: -61.318
Base-Backbone interact. energy: -0.268
local terms energy: -62.207655
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -336.241613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.241613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.241613 (E_RNA)
where:
Base-Base interactions energy: -222.337
where: short stacking energy: -100.979
Base-Backbone interact. energy: 0.252
local terms energy: -114.156561
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -28.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -341.567916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.567916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.567916 (E_RNA)
where:
Base-Base interactions energy: -224.416
where: short stacking energy: -104.577
Base-Backbone interact. energy: -2.468
local terms energy: -114.683669
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -22.996
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -35.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -330.060089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.060089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.060089 (E_RNA)
where:
Base-Base interactions energy: -223.256
where: short stacking energy: -95.865
Base-Backbone interact. energy: -1.393
local terms energy: -105.411329
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -30.298
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: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -270.918805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.918805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.918805 (E_RNA)
where:
Base-Base interactions energy: -174.102
where: short stacking energy: -81.179
Base-Backbone interact. energy: -0.055
local terms energy: -96.761931
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -330.574943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.574943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.574943 (E_RNA)
where:
Base-Base interactions energy: -225.880
where: short stacking energy: -95.767
Base-Backbone interact. energy: -0.587
local terms energy: -104.107949
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -30.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -257.686747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.686747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.686747 (E_RNA)
where:
Base-Base interactions energy: -164.693
where: short stacking energy: -83.802
Base-Backbone interact. energy: -0.696
local terms energy: -92.297424
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -230.225788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.225788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.225788 (E_RNA)
where:
Base-Base interactions energy: -137.620
where: short stacking energy: -68.389
Base-Backbone interact. energy: -0.526
local terms energy: -92.079884
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -13.470
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: 8, replica: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -112.970374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.970374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.970374 (E_RNA)
where:
Base-Base interactions energy: -38.764
where: short stacking energy: -38.273
Base-Backbone interact. energy: -0.392
local terms energy: -73.814843
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -15.094
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: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -97.095420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.095420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.095420 (E_RNA)
where:
Base-Base interactions energy: -44.100
where: short stacking energy: -33.263
Base-Backbone interact. energy: -0.334
local terms energy: -52.661677
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: 1.269
tors. eta vs tors. theta energy: 1.355
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: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -105.476809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.476809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.476809 (E_RNA)
where:
Base-Base interactions energy: -45.819
where: short stacking energy: -35.503
Base-Backbone interact. energy: -0.191
local terms energy: -59.467746
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -347.951186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.951186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.951186 (E_RNA)
where:
Base-Base interactions energy: -232.507
where: short stacking energy: -102.245
Base-Backbone interact. energy: -0.983
local terms energy: -114.461006
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -25.627
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -33.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -337.087448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.087448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.087448 (E_RNA)
where:
Base-Base interactions energy: -227.072
where: short stacking energy: -104.751
Base-Backbone interact. energy: -0.373
local terms energy: -109.642474
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -17.772
tors. eta vs tors. theta energy: -27.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -327.241216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.241216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.241216 (E_RNA)
where:
Base-Base interactions energy: -212.321
where: short stacking energy: -92.132
Base-Backbone interact. energy: -0.585
local terms energy: -114.335403
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -22.803
flat angles P-C4'-P energy: -19.051
tors. eta vs tors. theta energy: -29.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -290.493115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.493115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.493115 (E_RNA)
where:
Base-Base interactions energy: -186.100
where: short stacking energy: -91.999
Base-Backbone interact. energy: -0.512
local terms energy: -103.881010
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -23.388
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -17.264
tors. eta vs tors. theta energy: -26.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -322.887715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.887715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.887715 (E_RNA)
where:
Base-Base interactions energy: -216.283
where: short stacking energy: -89.929
Base-Backbone interact. energy: -1.243
local terms energy: -105.361563
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -28.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -249.891293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.891293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.891293 (E_RNA)
where:
Base-Base interactions energy: -164.565
where: short stacking energy: -70.300
Base-Backbone interact. energy: -2.044
local terms energy: -83.282313
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -21.878
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -9.948
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: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -230.946730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.946730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.946730 (E_RNA)
where:
Base-Base interactions energy: -143.370
where: short stacking energy: -75.334
Base-Backbone interact. energy: -0.003
local terms energy: -87.573175
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -104.075291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.075291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.075291 (E_RNA)
where:
Base-Base interactions energy: -45.285
where: short stacking energy: -42.552
Base-Backbone interact. energy: -0.958
local terms energy: -57.832474
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -0.205
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: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -105.387890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.387890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.387890 (E_RNA)
where:
Base-Base interactions energy: -40.259
where: short stacking energy: -38.663
Base-Backbone interact. energy: -0.091
local terms energy: -65.037696
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -123.645287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.645287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.645287 (E_RNA)
where:
Base-Base interactions energy: -57.842
where: short stacking energy: -40.799
Base-Backbone interact. energy: -0.319
local terms energy: -65.484306
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -343.609012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.609012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.609012 (E_RNA)
where:
Base-Base interactions energy: -229.075
where: short stacking energy: -99.983
Base-Backbone interact. energy: -1.904
local terms energy: -112.629942
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -22.402
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -31.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -334.731276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.731276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.731276 (E_RNA)
where:
Base-Base interactions energy: -224.976
where: short stacking energy: -91.527
Base-Backbone interact. energy: -0.394
local terms energy: -109.361462
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -28.897
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: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -332.434227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.434227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.434227 (E_RNA)
where:
Base-Base interactions energy: -223.936
where: short stacking energy: -94.863
Base-Backbone interact. energy: -0.781
local terms energy: -107.716810
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -30.556
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: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -329.328375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.328375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.328375 (E_RNA)
where:
Base-Base interactions energy: -215.120
where: short stacking energy: -84.702
Base-Backbone interact. energy: -0.680
local terms energy: -113.527674
where:
bonds (distance) C4'-P energy: -24.044
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -29.852
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: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -279.367012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.367012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.367012 (E_RNA)
where:
Base-Base interactions energy: -181.020
where: short stacking energy: -90.034
Base-Backbone interact. energy: -0.136
local terms energy: -98.211642
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -24.053
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: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -257.698565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.698565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.698565 (E_RNA)
where:
Base-Base interactions energy: -161.593
where: short stacking energy: -77.330
Base-Backbone interact. energy: -0.233
local terms energy: -95.871869
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -22.726
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: 471
Temperature: 1.200000
Total energy: -245.999555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.999555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.999555 (E_RNA)
where:
Base-Base interactions energy: -151.913
where: short stacking energy: -78.799
Base-Backbone interact. energy: -0.429
local terms energy: -93.657708
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -13.391
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: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -121.278388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.278388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.278388 (E_RNA)
where:
Base-Base interactions energy: -51.255
where: short stacking energy: -45.019
Base-Backbone interact. energy: -0.151
local terms energy: -69.873136
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -120.051838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.051838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.051838 (E_RNA)
where:
Base-Base interactions energy: -50.812
where: short stacking energy: -47.016
Base-Backbone interact. energy: -0.163
local terms energy: -69.077177
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -90.496430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.496430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.496430 (E_RNA)
where:
Base-Base interactions energy: -37.375
where: short stacking energy: -29.952
Base-Backbone interact. energy: 0.722
local terms energy: -53.844134
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: 2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -342.071267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.071267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.071267 (E_RNA)
where:
Base-Base interactions energy: -230.316
where: short stacking energy: -96.828
Base-Backbone interact. energy: -1.578
local terms energy: -110.177723
where:
bonds (distance) C4'-P energy: -23.997
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -31.394
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: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -346.174325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.174325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.174325 (E_RNA)
where:
Base-Base interactions energy: -230.146
where: short stacking energy: -105.134
Base-Backbone interact. energy: -1.300
local terms energy: -114.727566
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -33.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -334.837475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.837475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.837475 (E_RNA)
where:
Base-Base interactions energy: -224.809
where: short stacking energy: -95.520
Base-Backbone interact. energy: -1.177
local terms energy: -108.851585
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -27.031
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: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -329.848847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.848847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.848847 (E_RNA)
where:
Base-Base interactions energy: -216.779
where: short stacking energy: -93.138
Base-Backbone interact. energy: -1.681
local terms energy: -111.388299
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -31.554
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: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -269.617718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.617718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.617718 (E_RNA)
where:
Base-Base interactions energy: -183.879
where: short stacking energy: -76.145
Base-Backbone interact. energy: -0.007
local terms energy: -85.732110
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -252.312643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.312643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.312643 (E_RNA)
where:
Base-Base interactions energy: -156.700
where: short stacking energy: -64.238
Base-Backbone interact. energy: -1.168
local terms energy: -94.444927
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -246.064139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.064139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.064139 (E_RNA)
where:
Base-Base interactions energy: -158.275
where: short stacking energy: -71.494
Base-Backbone interact. energy: -0.199
local terms energy: -87.590403
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -115.231753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.231753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.231753 (E_RNA)
where:
Base-Base interactions energy: -42.948
where: short stacking energy: -38.331
Base-Backbone interact. energy: -0.223
local terms energy: -72.061231
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -108.411665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.411665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.411665 (E_RNA)
where:
Base-Base interactions energy: -39.869
where: short stacking energy: -39.869
Base-Backbone interact. energy: 1.410
local terms energy: -69.952356
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -101.291131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.291131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.291131 (E_RNA)
where:
Base-Base interactions energy: -43.040
where: short stacking energy: -39.098
Base-Backbone interact. energy: 1.460
local terms energy: -59.711458
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -3.633
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -346.818092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.818092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.818092 (E_RNA)
where:
Base-Base interactions energy: -227.812
where: short stacking energy: -105.624
Base-Backbone interact. energy: -0.078
local terms energy: -118.928277
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -32.858
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: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -334.113740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.113740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.113740 (E_RNA)
where:
Base-Base interactions energy: -221.962
where: short stacking energy: -102.097
Base-Backbone interact. energy: -0.584
local terms energy: -111.567652
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -31.102
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: 473
Temperature: 1.000000
Total energy: -328.089405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.089405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.089405 (E_RNA)
where:
Base-Base interactions energy: -219.952
where: short stacking energy: -90.892
Base-Backbone interact. energy: -1.667
local terms energy: -106.470889
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -33.107
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: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -334.344894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.344894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.344894 (E_RNA)
where:
Base-Base interactions energy: -223.381
where: short stacking energy: -102.834
Base-Backbone interact. energy: -0.046
local terms energy: -110.917032
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -29.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -263.487637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.487637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.487637 (E_RNA)
where:
Base-Base interactions energy: -158.802
where: short stacking energy: -80.069
Base-Backbone interact. energy: -0.009
local terms energy: -104.676475
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -24.833
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: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -272.776977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.776977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.776977 (E_RNA)
where:
Base-Base interactions energy: -179.583
where: short stacking energy: -82.152
Base-Backbone interact. energy: -0.787
local terms energy: -92.407571
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -18.318
tors. eta vs tors. theta energy: -19.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -237.320067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.320067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.320067 (E_RNA)
where:
Base-Base interactions energy: -147.337
where: short stacking energy: -74.899
Base-Backbone interact. energy: -0.148
local terms energy: -89.834654
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -21.970
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: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -144.990158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.990158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.990158 (E_RNA)
where:
Base-Base interactions energy: -77.582
where: short stacking energy: -41.868
Base-Backbone interact. energy: -0.342
local terms energy: -67.065985
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -101.560122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.560122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.560122 (E_RNA)
where:
Base-Base interactions energy: -36.327
where: short stacking energy: -28.678
Base-Backbone interact. energy: 0.279
local terms energy: -65.512027
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: 2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -105.294356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.294356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.294356 (E_RNA)
where:
Base-Base interactions energy: -41.011
where: short stacking energy: -41.011
Base-Backbone interact. energy: 2.642
local terms energy: -66.925611
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -14.776
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: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -354.345796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.345796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.345796 (E_RNA)
where:
Base-Base interactions energy: -237.778
where: short stacking energy: -107.232
Base-Backbone interact. energy: -0.785
local terms energy: -115.783109
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -32.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -329.330898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.330898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.330898 (E_RNA)
where:
Base-Base interactions energy: -223.995
where: short stacking energy: -87.895
Base-Backbone interact. energy: -0.477
local terms energy: -104.858342
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -29.834
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: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -333.224637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.224637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.224637 (E_RNA)
where:
Base-Base interactions energy: -223.407
where: short stacking energy: -96.308
Base-Backbone interact. energy: -0.738
local terms energy: -109.079412
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -29.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -321.717333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.717333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.717333 (E_RNA)
where:
Base-Base interactions energy: -214.580
where: short stacking energy: -94.361
Base-Backbone interact. energy: -0.305
local terms energy: -106.831467
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -28.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -266.196347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.196347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.196347 (E_RNA)
where:
Base-Base interactions energy: -170.924
where: short stacking energy: -79.890
Base-Backbone interact. energy: -2.040
local terms energy: -93.232597
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -253.993025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.993025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.993025 (E_RNA)
where:
Base-Base interactions energy: -162.026
where: short stacking energy: -78.178
Base-Backbone interact. energy: -0.628
local terms energy: -91.339544
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -22.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -250.382823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.382823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.382823 (E_RNA)
where:
Base-Base interactions energy: -171.747
where: short stacking energy: -80.801
Base-Backbone interact. energy: 0.054
local terms energy: -78.689416
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -114.912426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.912426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.912426 (E_RNA)
where:
Base-Base interactions energy: -46.525
where: short stacking energy: -43.485
Base-Backbone interact. energy: -0.448
local terms energy: -67.940223
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -8.673
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: 474
Temperature: 1.300000
Total energy: -107.086758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.086758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.086758 (E_RNA)
where:
Base-Base interactions energy: -39.322
where: short stacking energy: -37.861
Base-Backbone interact. energy: -0.037
local terms energy: -67.727811
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -12.282
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: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -94.846089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.846089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.846089 (E_RNA)
where:
Base-Base interactions energy: -31.632
where: short stacking energy: -28.552
Base-Backbone interact. energy: -0.236
local terms energy: -62.978215
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: 4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -347.939413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.939413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.939413 (E_RNA)
where:
Base-Base interactions energy: -230.933
where: short stacking energy: -102.748
Base-Backbone interact. energy: -1.453
local terms energy: -115.553389
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -30.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -332.785923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.785923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.785923 (E_RNA)
where:
Base-Base interactions energy: -225.041
where: short stacking energy: -99.099
Base-Backbone interact. energy: -0.208
local terms energy: -107.536756
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -30.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -326.517247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.517247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.517247 (E_RNA)
where:
Base-Base interactions energy: -217.856
where: short stacking energy: -99.182
Base-Backbone interact. energy: -0.520
local terms energy: -108.141038
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -30.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -329.012733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.012733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.012733 (E_RNA)
where:
Base-Base interactions energy: -219.716
where: short stacking energy: -94.139
Base-Backbone interact. energy: -2.101
local terms energy: -107.195148
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -32.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -257.022453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.022453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.022453 (E_RNA)
where:
Base-Base interactions energy: -161.627
where: short stacking energy: -75.281
Base-Backbone interact. energy: -0.588
local terms energy: -94.807223
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -22.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -254.799724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.799724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.799724 (E_RNA)
where:
Base-Base interactions energy: -159.745
where: short stacking energy: -69.843
Base-Backbone interact. energy: -0.470
local terms energy: -94.584333
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -15.551
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: 475
Temperature: 1.200000
Total energy: -241.792963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.792963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.792963 (E_RNA)
where:
Base-Base interactions energy: -150.558
where: short stacking energy: -77.735
Base-Backbone interact. energy: -0.117
local terms energy: -91.118522
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -21.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -128.414680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.414680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.414680 (E_RNA)
where:
Base-Base interactions energy: -51.015
where: short stacking energy: -51.015
Base-Backbone interact. energy: -0.874
local terms energy: -76.525156
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -10.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -101.430480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.430480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.430480 (E_RNA)
where:
Base-Base interactions energy: -37.977
where: short stacking energy: -32.944
Base-Backbone interact. energy: -0.300
local terms energy: -63.153425
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -106.348487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.348487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.348487 (E_RNA)
where:
Base-Base interactions energy: -32.886
where: short stacking energy: -26.905
Base-Backbone interact. energy: -0.985
local terms energy: -72.477041
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -333.032455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.032455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.032455 (E_RNA)
where:
Base-Base interactions energy: -226.950
where: short stacking energy: -103.452
Base-Backbone interact. energy: -0.010
local terms energy: -106.072669
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -28.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -346.650113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.650113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.650113 (E_RNA)
where:
Base-Base interactions energy: -235.356
where: short stacking energy: -101.048
Base-Backbone interact. energy: -0.781
local terms energy: -110.513109
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -32.187
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: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -330.311279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.311279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.311279 (E_RNA)
where:
Base-Base interactions energy: -223.168
where: short stacking energy: -102.896
Base-Backbone interact. energy: -0.242
local terms energy: -106.901488
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -30.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -324.907322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.907322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.907322 (E_RNA)
where:
Base-Base interactions energy: -207.824
where: short stacking energy: -91.679
Base-Backbone interact. energy: -0.488
local terms energy: -116.594989
where:
bonds (distance) C4'-P energy: -21.496
bonds (distance) P-C4' energy: -23.579
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -18.773
tors. eta vs tors. theta energy: -31.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -272.990266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.990266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.990266 (E_RNA)
where:
Base-Base interactions energy: -175.329
where: short stacking energy: -89.206
Base-Backbone interact. energy: -0.132
local terms energy: -97.529438
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -23.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -237.652071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.652071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.652071 (E_RNA)
where:
Base-Base interactions energy: -147.608
where: short stacking energy: -75.112
Base-Backbone interact. energy: -0.319
local terms energy: -89.725025
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -22.146
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -243.760754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.760754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.760754 (E_RNA)
where:
Base-Base interactions energy: -147.795
where: short stacking energy: -71.511
Base-Backbone interact. energy: -0.377
local terms energy: -95.589145
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -18.144
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -128.578930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.578930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.578930 (E_RNA)
where:
Base-Base interactions energy: -50.009
where: short stacking energy: -47.287
Base-Backbone interact. energy: -0.297
local terms energy: -78.272396
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -110.020365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.020365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.020365 (E_RNA)
where:
Base-Base interactions energy: -52.557
where: short stacking energy: -40.343
Base-Backbone interact. energy: -0.360
local terms energy: -57.103442
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -91.879460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.879460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.879460 (E_RNA)
where:
Base-Base interactions energy: -30.830
where: short stacking energy: -24.071
Base-Backbone interact. energy: -0.174
local terms energy: -60.875454
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: 1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -338.965410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.965410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.965410 (E_RNA)
where:
Base-Base interactions energy: -227.432
where: short stacking energy: -97.024
Base-Backbone interact. energy: -0.591
local terms energy: -110.942841
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -29.366
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: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -335.336126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.336126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.336126 (E_RNA)
where:
Base-Base interactions energy: -218.828
where: short stacking energy: -94.459
Base-Backbone interact. energy: -0.869
local terms energy: -115.639708
where:
bonds (distance) C4'-P energy: -24.914
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -23.982
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -27.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -324.596066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.596066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.596066 (E_RNA)
where:
Base-Base interactions energy: -214.829
where: short stacking energy: -97.569
Base-Backbone interact. energy: -0.415
local terms energy: -109.352611
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -32.325
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: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -276.620351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.620351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.620351 (E_RNA)
where:
Base-Base interactions energy: -177.231
where: short stacking energy: -74.973
Base-Backbone interact. energy: -0.086
local terms energy: -99.302609
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -22.307
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -12.768
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: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -317.980357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.980357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.980357 (E_RNA)
where:
Base-Base interactions energy: -217.094
where: short stacking energy: -102.353
Base-Backbone interact. energy: -0.217
local terms energy: -100.668862
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -21.791
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -31.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -242.919148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.919148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.919148 (E_RNA)
where:
Base-Base interactions energy: -161.554
where: short stacking energy: -71.488
Base-Backbone interact. energy: -1.247
local terms energy: -80.117819
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -17.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -253.363495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.363495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.363495 (E_RNA)
where:
Base-Base interactions energy: -159.245
where: short stacking energy: -83.774
Base-Backbone interact. energy: -0.255
local terms energy: -93.862793
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -23.077
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: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -112.868510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.868510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.868510 (E_RNA)
where:
Base-Base interactions energy: -34.823
where: short stacking energy: -34.350
Base-Backbone interact. energy: -0.182
local terms energy: -77.863708
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -107.526552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.526552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.526552 (E_RNA)
where:
Base-Base interactions energy: -45.216
where: short stacking energy: -26.944
Base-Backbone interact. energy: -0.435
local terms energy: -61.875244
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -2.155
tors. eta vs tors. theta energy: -5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -101.065758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.065758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.065758 (E_RNA)
where:
Base-Base interactions energy: -35.189
where: short stacking energy: -32.904
Base-Backbone interact. energy: -0.427
local terms energy: -65.449656
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -343.279883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.279883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.279883 (E_RNA)
where:
Base-Base interactions energy: -227.218
where: short stacking energy: -102.674
Base-Backbone interact. energy: -0.196
local terms energy: -115.866151
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -28.783
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: 478
Temperature: 0.950000
Total energy: -335.449426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.449426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.449426 (E_RNA)
where:
Base-Base interactions energy: -227.964
where: short stacking energy: -102.983
Base-Backbone interact. energy: -1.702
local terms energy: -105.784008
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -34.723
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: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -327.083819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.083819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.083819 (E_RNA)
where:
Base-Base interactions energy: -220.105
where: short stacking energy: -98.080
Base-Backbone interact. energy: -0.084
local terms energy: -106.895173
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -30.855
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: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -283.671624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.671624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.671624 (E_RNA)
where:
Base-Base interactions energy: -178.012
where: short stacking energy: -94.724
Base-Backbone interact. energy: -0.212
local terms energy: -105.447762
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -23.288
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -26.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -317.255910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.255910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.255910 (E_RNA)
where:
Base-Base interactions energy: -211.373
where: short stacking energy: -97.166
Base-Backbone interact. energy: -0.912
local terms energy: -104.970241
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -28.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -233.253594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.253594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.253594 (E_RNA)
where:
Base-Base interactions energy: -153.170
where: short stacking energy: -75.338
Base-Backbone interact. energy: -0.278
local terms energy: -79.805439
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -239.681757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.681757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.681757 (E_RNA)
where:
Base-Base interactions energy: -154.407
where: short stacking energy: -74.568
Base-Backbone interact. energy: -0.065
local terms energy: -85.209182
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -124.943324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.943324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.943324 (E_RNA)
where:
Base-Base interactions energy: -61.815
where: short stacking energy: -36.618
Base-Backbone interact. energy: -0.324
local terms energy: -62.804538
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -122.254596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.254596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.254596 (E_RNA)
where:
Base-Base interactions energy: -63.993
where: short stacking energy: -25.629
Base-Backbone interact. energy: 2.231
local terms energy: -60.492794
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -12.673
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: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -115.456517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.456517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.456517 (E_RNA)
where:
Base-Base interactions energy: -54.173
where: short stacking energy: -42.899
Base-Backbone interact. energy: 2.171
local terms energy: -63.454303
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -341.257746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.257746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.257746 (E_RNA)
where:
Base-Base interactions energy: -224.544
where: short stacking energy: -103.727
Base-Backbone interact. energy: -0.280
local terms energy: -116.434316
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -32.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -340.662531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.662531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.662531 (E_RNA)
where:
Base-Base interactions energy: -226.673
where: short stacking energy: -109.891
Base-Backbone interact. energy: -2.982
local terms energy: -111.007347
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -33.354
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: 3, replica: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -331.042707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.042707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.042707 (E_RNA)
where:
Base-Base interactions energy: -225.317
where: short stacking energy: -97.048
Base-Backbone interact. energy: -1.122
local terms energy: -104.603989
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -26.797
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -27.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -312.749918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.749918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.749918 (E_RNA)
where:
Base-Base interactions energy: -209.604
where: short stacking energy: -87.806
Base-Backbone interact. energy: 0.422
local terms energy: -103.567429
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -28.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -264.133837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.133837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.133837 (E_RNA)
where:
Base-Base interactions energy: -167.034
where: short stacking energy: -86.288
Base-Backbone interact. energy: -0.065
local terms energy: -97.034720
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -23.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -260.241959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.241959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.241959 (E_RNA)
where:
Base-Base interactions energy: -164.494
where: short stacking energy: -79.510
Base-Backbone interact. energy: -0.546
local terms energy: -95.202123
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -23.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -249.431489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.431489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.431489 (E_RNA)
where:
Base-Base interactions energy: -157.123
where: short stacking energy: -76.609
Base-Backbone interact. energy: -0.155
local terms energy: -92.154153
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -23.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -155.616649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.616649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.616649 (E_RNA)
where:
Base-Base interactions energy: -80.334
where: short stacking energy: -45.643
Base-Backbone interact. energy: 1.355
local terms energy: -76.637637
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -11.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -108.814203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.814203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.814203 (E_RNA)
where:
Base-Base interactions energy: -49.588
where: short stacking energy: -38.302
Base-Backbone interact. energy: -0.412
local terms energy: -58.813624
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: 1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -104.346352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.346352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.346352 (E_RNA)
where:
Base-Base interactions energy: -42.141
where: short stacking energy: -38.990
Base-Backbone interact. energy: -0.136
local terms energy: -62.069681
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -8.555
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: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -344.586255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.586255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.586255 (E_RNA)
where:
Base-Base interactions energy: -229.499
where: short stacking energy: -102.010
Base-Backbone interact. energy: -0.668
local terms energy: -114.419874
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -22.952
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -34.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -330.959067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.959067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.959067 (E_RNA)
where:
Base-Base interactions energy: -225.343
where: short stacking energy: -93.584
Base-Backbone interact. energy: -0.654
local terms energy: -104.962470
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -31.723
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: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -340.835002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.835002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.835002 (E_RNA)
where:
Base-Base interactions energy: -229.496
where: short stacking energy: -102.053
Base-Backbone interact. energy: -1.575
local terms energy: -109.764235
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -29.822
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: 4, replica: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -332.526441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.526441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.526441 (E_RNA)
where:
Base-Base interactions energy: -228.821
where: short stacking energy: -102.998
Base-Backbone interact. energy: -0.851
local terms energy: -102.854896
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -30.919
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: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -269.709838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.709838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.709838 (E_RNA)
where:
Base-Base interactions energy: -175.146
where: short stacking energy: -92.533
Base-Backbone interact. energy: -0.002
local terms energy: -94.562606
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -25.523
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: 480
Temperature: 1.150000
Total energy: -254.254271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.254271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.254271 (E_RNA)
where:
Base-Base interactions energy: -160.116
where: short stacking energy: -89.894
Base-Backbone interact. energy: -0.372
local terms energy: -93.766087
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -25.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -248.278268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.278268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.278268 (E_RNA)
where:
Base-Base interactions energy: -161.774
where: short stacking energy: -85.255
Base-Backbone interact. energy: -0.213
local terms energy: -86.290950
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -19.594
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: 9
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -105.523487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.523487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.523487 (E_RNA)
where:
Base-Base interactions energy: -41.393
where: short stacking energy: -35.557
Base-Backbone interact. energy: 0.311
local terms energy: -64.441706
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -121.963989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.963989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.963989 (E_RNA)
where:
Base-Base interactions energy: -51.526
where: short stacking energy: -46.325
Base-Backbone interact. energy: -0.617
local terms energy: -69.820535
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -102.245150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.245150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.245150 (E_RNA)
where:
Base-Base interactions energy: -40.705
where: short stacking energy: -32.267
Base-Backbone interact. energy: -0.039
local terms energy: -61.501655
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -339.681450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.681450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.681450 (E_RNA)
where:
Base-Base interactions energy: -218.670
where: short stacking energy: -99.445
Base-Backbone interact. energy: -1.504
local terms energy: -119.507243
where:
bonds (distance) C4'-P energy: -23.622
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -18.318
tors. eta vs tors. theta energy: -29.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -342.143694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.143694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.143694 (E_RNA)
where:
Base-Base interactions energy: -225.204
where: short stacking energy: -107.456
Base-Backbone interact. energy: -0.920
local terms energy: -116.020267
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -22.795
flat angles C4'-P-C4' energy: -25.376
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -33.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -331.782704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.782704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.782704 (E_RNA)
where:
Base-Base interactions energy: -221.970
where: short stacking energy: -106.797
Base-Backbone interact. energy: -0.139
local terms energy: -109.673120
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -25.754
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -32.477
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: 481
Temperature: 1.050000
Total energy: -316.082625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.082625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.082625 (E_RNA)
where:
Base-Base interactions energy: -205.529
where: short stacking energy: -97.845
Base-Backbone interact. energy: -0.075
local terms energy: -110.479059
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -30.264
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: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -266.875195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.875195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.875195 (E_RNA)
where:
Base-Base interactions energy: -168.556
where: short stacking energy: -85.894
Base-Backbone interact. energy: -0.069
local terms energy: -98.250390
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -254.228848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.228848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.228848 (E_RNA)
where:
Base-Base interactions energy: -158.759
where: short stacking energy: -81.887
Base-Backbone interact. energy: -1.030
local terms energy: -94.439326
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -19.060
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -243.141118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.141118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.141118 (E_RNA)
where:
Base-Base interactions energy: -155.302
where: short stacking energy: -70.324
Base-Backbone interact. energy: -0.391
local terms energy: -87.447943
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -17.991
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: 8, replica: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -130.500961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.500961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.500961 (E_RNA)
where:
Base-Base interactions energy: -56.758
where: short stacking energy: -56.739
Base-Backbone interact. energy: -0.719
local terms energy: -73.023701
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -5.995
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: 481
Temperature: 1.300000
Total energy: -109.492139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.492139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.492139 (E_RNA)
where:
Base-Base interactions energy: -32.973
where: short stacking energy: -28.490
Base-Backbone interact. energy: 0.458
local terms energy: -76.977589
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -16.294
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: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -102.228745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.228745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.228745 (E_RNA)
where:
Base-Base interactions energy: -32.476
where: short stacking energy: -27.662
Base-Backbone interact. energy: -0.167
local terms energy: -69.585357
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -345.563954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.563954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.563954 (E_RNA)
where:
Base-Base interactions energy: -231.053
where: short stacking energy: -109.333
Base-Backbone interact. energy: -0.666
local terms energy: -113.844602
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -30.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -333.095125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.095125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.095125 (E_RNA)
where:
Base-Base interactions energy: -220.643
where: short stacking energy: -98.242
Base-Backbone interact. energy: -1.248
local terms energy: -111.203452
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -30.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -332.027791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.027791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.027791 (E_RNA)
where:
Base-Base interactions energy: -218.470
where: short stacking energy: -102.451
Base-Backbone interact. energy: -0.023
local terms energy: -113.535052
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -17.707
tors. eta vs tors. theta energy: -32.806
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: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -322.744330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.744330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.744330 (E_RNA)
where:
Base-Base interactions energy: -210.756
where: short stacking energy: -95.438
Base-Backbone interact. energy: -0.655
local terms energy: -111.332446
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -25.999
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -29.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -265.942976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.942976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.942976 (E_RNA)
where:
Base-Base interactions energy: -185.404
where: short stacking energy: -91.503
Base-Backbone interact. energy: -1.095
local terms energy: -79.443535
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -23.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -253.828166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.828166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.828166 (E_RNA)
where:
Base-Base interactions energy: -156.046
where: short stacking energy: -78.520
Base-Backbone interact. energy: -0.051
local terms energy: -97.731461
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -22.572
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -249.986712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.986712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.986712 (E_RNA)
where:
Base-Base interactions energy: -161.324
where: short stacking energy: -78.702
Base-Backbone interact. energy: -0.019
local terms energy: -88.643315
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -20.764
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: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -108.705959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.705959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.705959 (E_RNA)
where:
Base-Base interactions energy: -32.189
where: short stacking energy: -31.552
Base-Backbone interact. energy: -0.019
local terms energy: -76.497726
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -14.997
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: 2
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -107.271142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.271142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.271142 (E_RNA)
where:
Base-Base interactions energy: -42.444
where: short stacking energy: -33.488
Base-Backbone interact. energy: 1.416
local terms energy: -66.243313
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -103.764904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.764904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.764904 (E_RNA)
where:
Base-Base interactions energy: -42.355
where: short stacking energy: -37.502
Base-Backbone interact. energy: -0.231
local terms energy: -61.179491
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -345.701111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.701111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.701111 (E_RNA)
where:
Base-Base interactions energy: -226.793
where: short stacking energy: -110.567
Base-Backbone interact. energy: -0.121
local terms energy: -118.786468
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -31.932
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: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -342.011023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.011023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.011023 (E_RNA)
where:
Base-Base interactions energy: -227.568
where: short stacking energy: -97.505
Base-Backbone interact. energy: -2.158
local terms energy: -112.284891
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -30.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -329.451827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.451827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.451827 (E_RNA)
where:
Base-Base interactions energy: -215.380
where: short stacking energy: -91.692
Base-Backbone interact. energy: -0.459
local terms energy: -113.612190
where:
bonds (distance) C4'-P energy: -23.351
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -30.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -267.615162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.615162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.615162 (E_RNA)
where:
Base-Base interactions energy: -166.051
where: short stacking energy: -84.142
Base-Backbone interact. energy: -0.075
local terms energy: -101.489915
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -23.281
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: 483
Temperature: 1.100000
Total energy: -312.595013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.595013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.595013 (E_RNA)
where:
Base-Base interactions energy: -198.080
where: short stacking energy: -83.419
Base-Backbone interact. energy: -1.725
local terms energy: -112.789647
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -26.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -249.467896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.467896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.467896 (E_RNA)
where:
Base-Base interactions energy: -157.392
where: short stacking energy: -80.939
Base-Backbone interact. energy: -0.182
local terms energy: -91.894084
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -237.544612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.544612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.544612 (E_RNA)
where:
Base-Base interactions energy: -145.618
where: short stacking energy: -64.152
Base-Backbone interact. energy: -0.206
local terms energy: -91.720102
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -18.785
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: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -113.439295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.439295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.439295 (E_RNA)
where:
Base-Base interactions energy: -52.798
where: short stacking energy: -49.556
Base-Backbone interact. energy: 3.805
local terms energy: -64.446201
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -99.790814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.790814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.790814 (E_RNA)
where:
Base-Base interactions energy: -37.761
where: short stacking energy: -33.739
Base-Backbone interact. energy: 0.036
local terms energy: -62.065483
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: 2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -112.163572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.163572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.163572 (E_RNA)
where:
Base-Base interactions energy: -41.815
where: short stacking energy: -41.815
Base-Backbone interact. energy: -0.293
local terms energy: -70.054953
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -23.799
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -347.584318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.584318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.584318 (E_RNA)
where:
Base-Base interactions energy: -234.649
where: short stacking energy: -103.267
Base-Backbone interact. energy: -0.241
local terms energy: -112.694197
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -32.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -336.683326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.683326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.683326 (E_RNA)
where:
Base-Base interactions energy: -229.092
where: short stacking energy: -104.444
Base-Backbone interact. energy: -0.726
local terms energy: -106.865490
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -17.551
tors. eta vs tors. theta energy: -33.475
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: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -333.817461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.817461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.817461 (E_RNA)
where:
Base-Base interactions energy: -219.911
where: short stacking energy: -101.705
Base-Backbone interact. energy: -1.973
local terms energy: -111.932841
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -30.783
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: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -265.913295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.913295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.913295 (E_RNA)
where:
Base-Base interactions energy: -164.653
where: short stacking energy: -78.814
Base-Backbone interact. energy: 0.683
local terms energy: -101.943884
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -16.756
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -325.300782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.300782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.300782 (E_RNA)
where:
Base-Base interactions energy: -224.543
where: short stacking energy: -100.271
Base-Backbone interact. energy: -0.026
local terms energy: -100.731674
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -32.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -257.241791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.241791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.241791 (E_RNA)
where:
Base-Base interactions energy: -158.677
where: short stacking energy: -80.038
Base-Backbone interact. energy: -0.255
local terms energy: -98.309041
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -22.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -247.501012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.501012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.501012 (E_RNA)
where:
Base-Base interactions energy: -161.422
where: short stacking energy: -75.915
Base-Backbone interact. energy: -0.883
local terms energy: -85.196740
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -106.950079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.950079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.950079 (E_RNA)
where:
Base-Base interactions energy: -34.076
where: short stacking energy: -33.451
Base-Backbone interact. energy: 0.902
local terms energy: -73.776475
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -5.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -139.461415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.461415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.461415 (E_RNA)
where:
Base-Base interactions energy: -73.344
where: short stacking energy: -32.029
Base-Backbone interact. energy: -0.311
local terms energy: -65.806715
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -9.611
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: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -98.990815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.990815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.990815 (E_RNA)
where:
Base-Base interactions energy: -27.475
where: short stacking energy: -27.399
Base-Backbone interact. energy: -1.607
local terms energy: -69.909657
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -20.331
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: 2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -345.023776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.023776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.023776 (E_RNA)
where:
Base-Base interactions energy: -226.792
where: short stacking energy: -103.398
Base-Backbone interact. energy: -0.707
local terms energy: -117.525142
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -19.749
tors. eta vs tors. theta energy: -33.351
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: 485
Temperature: 0.950000
Total energy: -338.709343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.709343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.709343 (E_RNA)
where:
Base-Base interactions energy: -226.605
where: short stacking energy: -91.262
Base-Backbone interact. energy: -0.870
local terms energy: -111.233951
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -30.835
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: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -328.833456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.833456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.833456 (E_RNA)
where:
Base-Base interactions energy: -217.584
where: short stacking energy: -98.889
Base-Backbone interact. energy: -0.004
local terms energy: -111.245760
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -32.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -322.359084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.359084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.359084 (E_RNA)
where:
Base-Base interactions energy: -219.889
where: short stacking energy: -93.253
Base-Backbone interact. energy: -0.001
local terms energy: -102.468580
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -24.626
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -32.227
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: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -260.320260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.320260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.320260 (E_RNA)
where:
Base-Base interactions energy: -164.452
where: short stacking energy: -70.130
Base-Backbone interact. energy: 0.577
local terms energy: -96.445145
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -21.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -250.462898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.462898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.462898 (E_RNA)
where:
Base-Base interactions energy: -162.900
where: short stacking energy: -76.679
Base-Backbone interact. energy: -0.812
local terms energy: -86.750989
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -18.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -255.164881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.164881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.164881 (E_RNA)
where:
Base-Base interactions energy: -161.443
where: short stacking energy: -77.692
Base-Backbone interact. energy: -0.383
local terms energy: -93.338107
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -137.996820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.996820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.996820 (E_RNA)
where:
Base-Base interactions energy: -53.500
where: short stacking energy: -32.944
Base-Backbone interact. energy: -0.386
local terms energy: -84.110146
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -116.846018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.846018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.846018 (E_RNA)
where:
Base-Base interactions energy: -62.285
where: short stacking energy: -49.704
Base-Backbone interact. energy: 0.209
local terms energy: -54.769582
where:
bonds (distance) C4'-P energy: -3.575
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -107.337690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.337690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.337690 (E_RNA)
where:
Base-Base interactions energy: -38.745
where: short stacking energy: -37.975
Base-Backbone interact. energy: -0.550
local terms energy: -68.041976
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -345.443973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.443973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.443973 (E_RNA)
where:
Base-Base interactions energy: -232.388
where: short stacking energy: -100.859
Base-Backbone interact. energy: -0.649
local terms energy: -112.406701
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -24.933
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -31.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -339.247107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.247107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.247107 (E_RNA)
where:
Base-Base interactions energy: -221.928
where: short stacking energy: -100.287
Base-Backbone interact. energy: -0.321
local terms energy: -116.997701
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -33.428
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: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -345.863301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.863301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.863301 (E_RNA)
where:
Base-Base interactions energy: -221.912
where: short stacking energy: -101.426
Base-Backbone interact. energy: -2.156
local terms energy: -121.795370
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -34.699
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: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -330.081962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.081962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.081962 (E_RNA)
where:
Base-Base interactions energy: -220.977
where: short stacking energy: -101.236
Base-Backbone interact. energy: -0.331
local terms energy: -108.773672
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -33.153
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: 486
Temperature: 1.100000
Total energy: -261.406348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.406348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.406348 (E_RNA)
where:
Base-Base interactions energy: -173.949
where: short stacking energy: -83.010
Base-Backbone interact. energy: -0.144
local terms energy: -87.312474
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -22.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -265.055549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.055549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.055549 (E_RNA)
where:
Base-Base interactions energy: -167.274
where: short stacking energy: -90.554
Base-Backbone interact. energy: -0.551
local terms energy: -97.230489
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -26.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -254.975040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.975040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.975040 (E_RNA)
where:
Base-Base interactions energy: -158.121
where: short stacking energy: -72.235
Base-Backbone interact. energy: -0.219
local terms energy: -96.634642
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -19.554
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: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -124.338293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.338293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.338293 (E_RNA)
where:
Base-Base interactions energy: -59.828
where: short stacking energy: -45.669
Base-Backbone interact. energy: 0.139
local terms energy: -64.649571
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -106.508713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.508713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.508713 (E_RNA)
where:
Base-Base interactions energy: -34.058
where: short stacking energy: -30.650
Base-Backbone interact. energy: -0.206
local terms energy: -72.244719
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -11.705
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: 2
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -107.504783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.504783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.504783 (E_RNA)
where:
Base-Base interactions energy: -32.126
where: short stacking energy: -31.679
Base-Backbone interact. energy: -0.174
local terms energy: -75.204715
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -8.609
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: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -344.914257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.914257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.914257 (E_RNA)
where:
Base-Base interactions energy: -226.195
where: short stacking energy: -104.652
Base-Backbone interact. energy: -0.004
local terms energy: -118.715210
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -33.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -334.539576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.539576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.539576 (E_RNA)
where:
Base-Base interactions energy: -221.047
where: short stacking energy: -99.199
Base-Backbone interact. energy: -0.435
local terms energy: -113.057661
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -31.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -334.799111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.799111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.799111 (E_RNA)
where:
Base-Base interactions energy: -225.820
where: short stacking energy: -102.754
Base-Backbone interact. energy: -1.312
local terms energy: -107.667038
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -32.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -338.740624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.740624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.740624 (E_RNA)
where:
Base-Base interactions energy: -224.737
where: short stacking energy: -98.308
Base-Backbone interact. energy: -1.203
local terms energy: -112.800443
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -35.032
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: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -262.681825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.681825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.681825 (E_RNA)
where:
Base-Base interactions energy: -166.928
where: short stacking energy: -83.908
Base-Backbone interact. energy: -0.803
local terms energy: -94.950729
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -24.750
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: 487
Temperature: 1.150000
Total energy: -254.928182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.928182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.928182 (E_RNA)
where:
Base-Base interactions energy: -158.858
where: short stacking energy: -74.034
Base-Backbone interact. energy: -0.711
local terms energy: -95.359027
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -257.949197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.949197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.949197 (E_RNA)
where:
Base-Base interactions energy: -169.791
where: short stacking energy: -85.615
Base-Backbone interact. energy: -0.032
local terms energy: -88.126139
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -23.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -102.366321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.366321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.366321 (E_RNA)
where:
Base-Base interactions energy: -38.857
where: short stacking energy: -26.133
Base-Backbone interact. energy: -0.818
local terms energy: -62.690788
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: 5.647
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: 487
Temperature: 1.300000
Total energy: -116.661145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.661145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.661145 (E_RNA)
where:
Base-Base interactions energy: -51.905
where: short stacking energy: -49.751
Base-Backbone interact. energy: -0.041
local terms energy: -64.714946
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -100.138443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.138443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.138443 (E_RNA)
where:
Base-Base interactions energy: -37.887
where: short stacking energy: -37.672
Base-Backbone interact. energy: 2.353
local terms energy: -64.603933
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -5.049
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: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -344.145841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.145841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.145841 (E_RNA)
where:
Base-Base interactions energy: -226.889
where: short stacking energy: -99.737
Base-Backbone interact. energy: -0.003
local terms energy: -117.254160
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: -31.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -335.294568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.294568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.294568 (E_RNA)
where:
Base-Base interactions energy: -227.160
where: short stacking energy: -103.690
Base-Backbone interact. energy: -0.314
local terms energy: -107.820656
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -32.812
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: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -332.146294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.146294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.146294 (E_RNA)
where:
Base-Base interactions energy: -225.453
where: short stacking energy: -101.937
Base-Backbone interact. energy: -0.780
local terms energy: -105.913593
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -29.698
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: 4, replica: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -323.179938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.179938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.179938 (E_RNA)
where:
Base-Base interactions energy: -227.816
where: short stacking energy: -101.750
Base-Backbone interact. energy: -0.122
local terms energy: -95.241653
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -31.947
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: 8
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -257.613015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.613015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.613015 (E_RNA)
where:
Base-Base interactions energy: -163.531
where: short stacking energy: -82.231
Base-Backbone interact. energy: -0.043
local terms energy: -94.038294
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -15.796
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: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -249.965759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.965759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.965759 (E_RNA)
where:
Base-Base interactions energy: -161.825
where: short stacking energy: -79.830
Base-Backbone interact. energy: 0.018
local terms energy: -88.158695
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -18.987
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: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -255.588224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.588224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.588224 (E_RNA)
where:
Base-Base interactions energy: -155.635
where: short stacking energy: -71.757
Base-Backbone interact. energy: -1.643
local terms energy: -98.310722
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -111.753836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.753836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.753836 (E_RNA)
where:
Base-Base interactions energy: -39.221
where: short stacking energy: -36.652
Base-Backbone interact. energy: -0.405
local terms energy: -72.127350
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -113.486650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.486650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.486650 (E_RNA)
where:
Base-Base interactions energy: -46.317
where: short stacking energy: -44.648
Base-Backbone interact. energy: 0.150
local terms energy: -67.320173
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -108.490104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.490104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.490104 (E_RNA)
where:
Base-Base interactions energy: -42.322
where: short stacking energy: -39.344
Base-Backbone interact. energy: -0.204
local terms energy: -65.964669
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -344.465384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.465384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.465384 (E_RNA)
where:
Base-Base interactions energy: -230.499
where: short stacking energy: -111.656
Base-Backbone interact. energy: -0.284
local terms energy: -113.681983
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -32.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -348.583381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.583381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.583381 (E_RNA)
where:
Base-Base interactions energy: -228.366
where: short stacking energy: -100.561
Base-Backbone interact. energy: -2.497
local terms energy: -117.720549
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -33.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -323.499910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.499910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.499910 (E_RNA)
where:
Base-Base interactions energy: -222.640
where: short stacking energy: -103.368
Base-Backbone interact. energy: -0.651
local terms energy: -100.209175
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -25.510
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -30.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -311.136783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.136783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.136783 (E_RNA)
where:
Base-Base interactions energy: -206.796
where: short stacking energy: -93.061
Base-Backbone interact. energy: -0.059
local terms energy: -104.281995
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -28.849
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: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -273.119367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.119367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.119367 (E_RNA)
where:
Base-Base interactions energy: -168.701
where: short stacking energy: -85.061
Base-Backbone interact. energy: -0.008
local terms energy: -104.410668
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -25.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -250.274785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.274785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.274785 (E_RNA)
where:
Base-Base interactions energy: -169.877
where: short stacking energy: -90.083
Base-Backbone interact. energy: -0.220
local terms energy: -80.176997
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -251.145453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.145453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.145453 (E_RNA)
where:
Base-Base interactions energy: -157.966
where: short stacking energy: -72.395
Base-Backbone interact. energy: -0.124
local terms energy: -93.056199
where:
bonds (distance) C4'-P energy: -21.081
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -126.841637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.841637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.841637 (E_RNA)
where:
Base-Base interactions energy: -60.169
where: short stacking energy: -51.686
Base-Backbone interact. energy: -0.140
local terms energy: -66.531916
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -9.101
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: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -111.315153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.315153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.315153 (E_RNA)
where:
Base-Base interactions energy: -48.572
where: short stacking energy: -48.572
Base-Backbone interact. energy: -0.123
local terms energy: -62.620295
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -12.492
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: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -94.056260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.056260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.056260 (E_RNA)
where:
Base-Base interactions energy: -25.435
where: short stacking energy: -23.243
Base-Backbone interact. energy: -0.529
local terms energy: -68.092034
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -348.063277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.063277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.063277 (E_RNA)
where:
Base-Base interactions energy: -232.444
where: short stacking energy: -102.121
Base-Backbone interact. energy: 1.412
local terms energy: -117.031913
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -31.766
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: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -337.009398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.009398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.009398 (E_RNA)
where:
Base-Base interactions energy: -220.183
where: short stacking energy: -96.905
Base-Backbone interact. energy: -0.334
local terms energy: -116.491889
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -25.189
flat angles C4'-P-C4' energy: -22.843
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -30.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -345.350946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.350946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.350946 (E_RNA)
where:
Base-Base interactions energy: -233.194
where: short stacking energy: -99.829
Base-Backbone interact. energy: -2.607
local terms energy: -109.549988
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -31.590
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: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -327.121740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.121740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.121740 (E_RNA)
where:
Base-Base interactions energy: -219.409
where: short stacking energy: -96.067
Base-Backbone interact. energy: -0.401
local terms energy: -107.312295
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -27.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -262.314849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.314849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.314849 (E_RNA)
where:
Base-Base interactions energy: -173.453
where: short stacking energy: -86.737
Base-Backbone interact. energy: -0.709
local terms energy: -88.153089
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -238.351988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.351988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.351988 (E_RNA)
where:
Base-Base interactions energy: -145.054
where: short stacking energy: -71.849
Base-Backbone interact. energy: -0.705
local terms energy: -92.593271
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -248.196055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.196055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.196055 (E_RNA)
where:
Base-Base interactions energy: -161.573
where: short stacking energy: -78.039
Base-Backbone interact. energy: -0.806
local terms energy: -85.817148
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -12.192
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: 8, replica: 2
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -134.191202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.191202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.191202 (E_RNA)
where:
Base-Base interactions energy: -51.271
where: short stacking energy: -51.271
Base-Backbone interact. energy: -0.338
local terms energy: -82.581367
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -8.114
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: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -113.002911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.002911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.002911 (E_RNA)
where:
Base-Base interactions energy: -39.764
where: short stacking energy: -39.288
Base-Backbone interact. energy: 0.627
local terms energy: -73.866212
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: 2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -94.854311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.854311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.854311 (E_RNA)
where:
Base-Base interactions energy: -29.906
where: short stacking energy: -28.098
Base-Backbone interact. energy: -0.359
local terms energy: -64.589686
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
��������
��������
��������
��������
��������
��������
��������
��������
��������
==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -344.528342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.528342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.528342 (E_RNA)
where:
Base-Base interactions energy: -230.696
where: short stacking energy: -108.598
Base-Backbone interact. energy: -0.717
local terms energy: -113.115739
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -30.911
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: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -341.053773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.053773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.053773 (E_RNA)
where:
Base-Base interactions energy: -230.397
where: short stacking energy: -99.396
Base-Backbone interact. energy: -1.773
local terms energy: -108.884132
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -32.866
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: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -330.818456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.818456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.818456 (E_RNA)
where:
Base-Base interactions energy: -229.649
where: short stacking energy: -96.766
Base-Backbone interact. energy: -0.110
local terms energy: -101.059298
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -30.101
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: 491
Temperature: 1.050000
Total energy: -332.694675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.694675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.694675 (E_RNA)
where:
Base-Base interactions energy: -209.609
where: short stacking energy: -93.211
Base-Backbone interact. energy: -2.228
local terms energy: -120.857328
where:
bonds (distance) C4'-P energy: -23.622
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -32.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -259.846083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.846083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.846083 (E_RNA)
where:
Base-Base interactions energy: -169.763
where: short stacking energy: -86.633
Base-Backbone interact. energy: -0.097
local terms energy: -89.985803
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -21.054
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -231.386102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.386102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.386102 (E_RNA)
where:
Base-Base interactions energy: -153.400
where: short stacking energy: -70.137
Base-Backbone interact. energy: -0.136
local terms energy: -77.850180
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -205.783859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.783859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.783859 (E_RNA)
where:
Base-Base interactions energy: -120.077
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.172
local terms energy: -85.534255
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -109.992128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.992128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.992128 (E_RNA)
where:
Base-Base interactions energy: -39.379
where: short stacking energy: -38.344
Base-Backbone interact. energy: -0.145
local terms energy: -70.468138
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -8.903
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: 9, replica: 2
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -118.774978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.774978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.774978 (E_RNA)
where:
Base-Base interactions energy: -56.462
where: short stacking energy: -33.402
Base-Backbone interact. energy: -1.125
local terms energy: -61.187168
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -109.579753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.579753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.579753 (E_RNA)
where:
Base-Base interactions energy: -38.857
where: short stacking energy: -39.018
Base-Backbone interact. energy: -0.575
local terms energy: -70.147931
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -8.104
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: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -341.030424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.030424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.030424 (E_RNA)
where:
Base-Base interactions energy: -223.213
where: short stacking energy: -98.249
Base-Backbone interact. energy: -1.785
local terms energy: -116.032473
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -19.921
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -34.165
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: 4
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -332.583633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.583633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.583633 (E_RNA)
where:
Base-Base interactions energy: -220.914
where: short stacking energy: -103.695
Base-Backbone interact. energy: 0.501
local terms energy: -112.170482
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -31.374
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: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -328.822345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.822345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.822345 (E_RNA)
where:
Base-Base interactions energy: -223.265
where: short stacking energy: -94.987
Base-Backbone interact. energy: -0.495
local terms energy: -105.062193
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -29.310
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: 10
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -317.110096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.110096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.110096 (E_RNA)
where:
Base-Base interactions energy: -215.793
where: short stacking energy: -96.396
Base-Backbone interact. energy: -0.053
local terms energy: -101.264178
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -29.667
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: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -269.554750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.554750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.554750 (E_RNA)
where:
Base-Base interactions energy: -167.898
where: short stacking energy: -79.836
Base-Backbone interact. energy: -1.085
local terms energy: -100.571974
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -21.455
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -265.810712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.810712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.810712 (E_RNA)
where:
Base-Base interactions energy: -172.466
where: short stacking energy: -88.142
Base-Backbone interact. energy: 2.133
local terms energy: -95.478430
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -26.891
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: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -193.213722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.213722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.213722 (E_RNA)
where:
Base-Base interactions energy: -115.181
where: short stacking energy: -60.364
Base-Backbone interact. energy: -0.820
local terms energy: -77.213561
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -116.955133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.955133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.955133 (E_RNA)
where:
Base-Base interactions energy: -38.277
where: short stacking energy: -38.277
Base-Backbone interact. energy: -0.111
local terms energy: -78.567274
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -112.997620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.997620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.997620 (E_RNA)
where:
Base-Base interactions energy: -45.372
where: short stacking energy: -42.972
Base-Backbone interact. energy: -0.054
local terms energy: -67.571699
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -7.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -104.970534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.970534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.970534 (E_RNA)
where:
Base-Base interactions energy: -44.063
where: short stacking energy: -43.339
Base-Backbone interact. energy: -0.163
local terms energy: -60.744538
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -5.888
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: 1, replica: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -348.585140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.585140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.585140 (E_RNA)
where:
Base-Base interactions energy: -238.883
where: short stacking energy: -106.800
Base-Backbone interact. energy: -1.487
local terms energy: -108.214728
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -32.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -330.494140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.494140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.494140 (E_RNA)
where:
Base-Base interactions energy: -219.262
where: short stacking energy: -104.304
Base-Backbone interact. energy: -0.168
local terms energy: -111.064112
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -29.018
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: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -332.037956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.037956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.037956 (E_RNA)
where:
Base-Base interactions energy: -224.245
where: short stacking energy: -98.484
Base-Backbone interact. energy: -1.878
local terms energy: -105.915287
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -30.407
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: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -336.929750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.929750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.929750 (E_RNA)
where:
Base-Base interactions energy: -230.473
where: short stacking energy: -102.000
Base-Backbone interact. energy: -0.117
local terms energy: -106.339570
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -31.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -265.741301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.741301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.741301 (E_RNA)
where:
Base-Base interactions energy: -164.560
where: short stacking energy: -77.732
Base-Backbone interact. energy: -0.242
local terms energy: -100.938956
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -25.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -260.089875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.089875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.089875 (E_RNA)
where:
Base-Base interactions energy: -164.217
where: short stacking energy: -79.352
Base-Backbone interact. energy: -0.872
local terms energy: -95.001113
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -23.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -235.310130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.310130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.310130 (E_RNA)
where:
Base-Base interactions energy: -152.624
where: short stacking energy: -68.208
Base-Backbone interact. energy: -0.147
local terms energy: -82.539597
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -19.383
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: 2
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -119.556828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.556828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.556828 (E_RNA)
where:
Base-Base interactions energy: -44.855
where: short stacking energy: -34.005
Base-Backbone interact. energy: -0.580
local terms energy: -74.121975
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: 0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -123.793772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.793772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.793772 (E_RNA)
where:
Base-Base interactions energy: -52.925
where: short stacking energy: -46.659
Base-Backbone interact. energy: -0.254
local terms energy: -70.615034
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -105.693045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.693045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.693045 (E_RNA)
where:
Base-Base interactions energy: -42.319
where: short stacking energy: -37.345
Base-Backbone interact. energy: -0.197
local terms energy: -63.176897
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -7.133
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: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -342.173465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.173465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.173465 (E_RNA)
where:
Base-Base interactions energy: -232.119
where: short stacking energy: -105.120
Base-Backbone interact. energy: -0.278
local terms energy: -109.775907
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -33.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -338.703624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.703624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.703624 (E_RNA)
where:
Base-Base interactions energy: -222.145
where: short stacking energy: -90.826
Base-Backbone interact. energy: -2.376
local terms energy: -114.182014
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -25.081
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -29.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -335.443582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.443582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.443582 (E_RNA)
where:
Base-Base interactions energy: -220.646
where: short stacking energy: -97.295
Base-Backbone interact. energy: -0.021
local terms energy: -114.777185
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -24.469
flat angles P-C4'-P energy: -18.510
tors. eta vs tors. theta energy: -33.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -331.310568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.310568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.310568 (E_RNA)
where:
Base-Base interactions energy: -215.858
where: short stacking energy: -101.579
Base-Backbone interact. energy: -1.341
local terms energy: -114.111404
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -25.722
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -31.504
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: 5, replica: 8
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -276.150428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.150428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.150428 (E_RNA)
where:
Base-Base interactions energy: -171.466
where: short stacking energy: -85.034
Base-Backbone interact. energy: 1.374
local terms energy: -106.057551
where:
bonds (distance) C4'-P energy: -22.661
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -23.852
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -23.445
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: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -258.323639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.323639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.323639 (E_RNA)
where:
Base-Base interactions energy: -161.555
where: short stacking energy: -81.220
Base-Backbone interact. energy: -0.737
local terms energy: -96.031081
where:
bonds (distance) C4'-P energy: -24.892
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -11.429
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: 7, replica: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -146.584956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.584956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.584956 (E_RNA)
where:
Base-Base interactions energy: -78.621
where: short stacking energy: -48.030
Base-Backbone interact. energy: -0.398
local terms energy: -67.566067
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -198.900481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.900481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.900481 (E_RNA)
where:
Base-Base interactions energy: -118.276
where: short stacking energy: -55.198
Base-Backbone interact. energy: -0.125
local terms energy: -80.498990
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -16.014
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: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -110.437591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.437591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.437591 (E_RNA)
where:
Base-Base interactions energy: -47.342
where: short stacking energy: -41.936
Base-Backbone interact. energy: 0.829
local terms energy: -63.924046
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -25.365
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -9.753
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: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -104.617260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.617260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.617260 (E_RNA)
where:
Base-Base interactions energy: -36.176
where: short stacking energy: -31.306
Base-Backbone interact. energy: -0.460
local terms energy: -67.981945
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -5.417
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)
��������
��������
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -344.672324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.672324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.672324 (E_RNA)
where:
Base-Base interactions energy: -229.683
where: short stacking energy: -109.788
Base-Backbone interact. energy: -0.781
local terms energy: -114.208055
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -22.976
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -34.250
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: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -350.276672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.276672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.276672 (E_RNA)
where:
Base-Base interactions energy: -233.070
where: short stacking energy: -101.704
Base-Backbone interact. energy: -1.208
local terms energy: -115.998526
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -26.067
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -30.661
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: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -332.786008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.786008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.786008 (E_RNA)
where:
Base-Base interactions energy: -220.238
where: short stacking energy: -99.136
Base-Backbone interact. energy: -0.583
local terms energy: -111.965324
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -24.829
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -30.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -326.900081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.900081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.900081 (E_RNA)
where:
Base-Base interactions energy: -221.914
where: short stacking energy: -104.584
Base-Backbone interact. energy: -0.426
local terms energy: -104.560392
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -32.765
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: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -270.694440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.694440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.694440 (E_RNA)
where:
Base-Base interactions energy: -170.015
where: short stacking energy: -80.312
Base-Backbone interact. energy: -0.039
local terms energy: -100.640131
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -261.260852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.260852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.260852 (E_RNA)
where:
Base-Base interactions energy: -173.312
where: short stacking energy: -91.411
Base-Backbone interact. energy: -0.008
local terms energy: -87.940739
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -29.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -146.048327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.048327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.048327 (E_RNA)
where:
Base-Base interactions energy: -70.944
where: short stacking energy: -42.177
Base-Backbone interact. energy: -0.144
local terms energy: -74.961025
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -170.474137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.474137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.474137 (E_RNA)
where:
Base-Base interactions energy: -101.780
where: short stacking energy: -54.326
Base-Backbone interact. energy: -0.058
local terms energy: -68.635402
where:
bonds (distance) C4'-P energy: -7.314
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -103.073004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.073004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.073004 (E_RNA)
where:
Base-Base interactions energy: -42.028
where: short stacking energy: -38.427
Base-Backbone interact. energy: 2.871
local terms energy: -63.915060
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -99.688676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.688676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.688676 (E_RNA)
where:
Base-Base interactions energy: -36.288
where: short stacking energy: -22.957
Base-Backbone interact. energy: -1.443
local terms energy: -61.957244
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: 8.633
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)
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE